From owner-repertoires@net.bio.net Thu Apr 01 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: "Dr. Wendy A. Warr" <wendy@WARR.COM>
Newsgroups: bionet.molecules.repertoires
Subject: Warr Zone
Date: 2 Apr 1999 08:15:36 -0800
Organization: Wendy Warr & Associates
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Apologies for multiple postings. Judging from comments I received at the
ACS Meeting last week, very few people realize that in January 1999 Warr
Zone moved to http://www.warr.com. Headings from the latest
Warr Zone are:

Hewlett Packard Announces Split
Full Text of Patents Through Espacenet
Medical Information on the Internet
Sagian Introduces SAMI NT
Deal between IRORI and Ontogen
Universal Language System for Internet
Forecast for World's Chemical Markets
News from the European Information Industry

Do take a look. Wendy
--
Dr Wendy A Warr
Wendy Warr & Associates, 6 Berwick Court
Holmes Chapel, Cheshire CW4 7HZ, England
Tel/fax +44 (0)1477 533837
wendy@warr.com   http://www.warr.com







From owner-repertoires@net.bio.net Tue Apr 06 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: Bob Snyder <Bobs@MDLI.COM>
Newsgroups: bionet.molecules.repertoires
Subject: Second Call For Papers - Combinatorial Chemistry Informatics at ACS
Date: 7 Apr 1999 04:15:39 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
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The Chemical Information (CINF) Division is planning a series of sessions on
Combinatorial Chemistry Informatics at the fall ACS meeting in New Orleans
(August 1999).  Each session will focus on a different aspect in the
combinatorial chemistry process: from library design, virtual library
analysis, and automated synthesis, through high-throughput screening.  The
four sessions will be presented sequentially to preserve the natural
workflow.

Abstracts should be submitted electronically by April 15, 1999 by accessing
the URL http://207.244.115.201/acs/218nm/cinf/papers/index.cgi

If you  need more information on one of the sessions contact the session
organizer at the end of each session description below.


Combinatorial Chemistry Informatics: Library Design
Library design can be the most critical aspect in determining the success or
failure of the resulting combinatorial library.  Selection of the scaffold
and R-groups (reagents) can have a profound effect on how well the library
members bind to the desired target receptor.  Information-based approaches
to the design of combinatorial libraries is resulting in smaller, more
effective libraries.  This session will present novel techniques for library
design and registration.  Please contact Bob Snyder (bobs@mdli.com) for
further information and submission of abstracts.

Combinatorial Chemistry Informatics: Virtual Library Analysis/Diversity
Assessment
This session will focus on the creation and analysis of virtual
combinatorial libraries as a means for pre-screening libraries prior to
their synthesis.  Various diversity measurements will be presented and their
effectiveness measured.  Please contact Bob Snyder (bobs@mdli.com) for
further information and submission of abstracts.

Combinatorial Chemistry Informatics: Automated Synthesis and Validation
This session will cover information management and tracking methods for all
steps of medium or high throughput synthesis.  This includes experimental
set-up, synthesis techniques, purification methods for synthesized
compounds, analytical methods for compound verification, and registration of
validated compounds. Speakers from industry, academia, or government who can
describe approaches to information management for these issues as applied to
their own research programs are preferred.  Please contact Terry Wright
(terryw@mdli.com) for further information and submission of abstracts.

Combinatorial Chemistry Informatics: High-Throughput Screening
Combinatorial libraries pose unique challenges to software programmers and
developers who provide informatics programs for the drug discovery industry.
These challenges include controlling robotic workstations used to create the
libraries as well are register and validate the libraries before they are
run in  High-Throughput Screening (HTS) programs.  This sessions will focus
on how the presenters companies are dealing with this issue.  Please contact
Ron Delmendo (rond@mdli.com) for further information and submission of
abstracts.


Please submit your talks as soon as possible since each session will be
limited to one half day.

-------------------------------------
Robert W. Snyder, Ph.D.
Director, Chemistry Marketing
MDL Information Systems
email:   bobs@mdli.com
telephone:   510-895-1313

Never stop searching.







From owner-repertoires@net.bio.net Tue Apr 06 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: "Ortwine, Dan" <Dan.Ortwine@WL.COM>
Newsgroups: bionet.molecules.repertoires
Subject: Second Call for Papers - "Docking & Scoring" - ACS New Orleans - Fall
Date: 7 Apr 1999 04:23:06 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
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Second Call for Papers

The Computers in Chemistry Division of the American Chemical Society
is planning a symposium on "Docking and Scoring" for the Fall ACS Meeting
in New Orleans, August 22 - 26, 1999.  The overall theme is the prediction
of ligand/protein binding affinity via compuational means.

Individual sessions are planned that will cover a range of methodologies,
from the use of fast, empirical scoring functions that can be applied to
large databases to select candidates for screening, to more rigorous
techniques
designed to return accurate assessments of binding energy.

Examples of topics expected to be covered include but are certainly
not limited to QM/MM methods, molecular dynamics calculations
(linear response methods, etc.), as well as more simplified potential
functions (potential of mean force, LUDI, SMOG, DOCK scoring, etc.).

If you are interested in presenting a paper at this symposium please contact
me before April 10th at the address shown below.  Abstracts are due April
15th.  For your information, the ACS has a new on-line abstract
submission procedure available.  For details, see

 http://www.acs.org/meetings/abstract/abinfo.html

If you need more detail, feel free to contact me at the address below.
I look forward to seeing you in New Orleans!

Dan Ortwine
Symposium Organizer

----------------------------------------------------
Daniel F. Ortwine
Senior Research Associate
Computer-Assisted Drug Design
Parke-Davis Co.                                            Phone:
734-622-7309
2800 Plymouth Road                                    Fax:      734-622-2782
Ann Arbor, MI    48105                                email:
Dan.Ortwine@wl.com
USA
----------------------------------------------------







From owner-repertoires@net.bio.net Tue Apr 06 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: Guenter Grethe <Guenter@MDLI.COM>
Newsgroups: bionet.molecules.repertoires
Subject: Second Call for Papers - "Management of Reaction Information for the
Date: 7 Apr 1999 04:20:44 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 47
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The Division of Chemical Information of the American Chemical Society is
planning a symposium on "Management of Reaction Information for the
Synthetic Chemist" for the Fall ACS Meeting in New Orleans, August 22 - 26,
1999.  A similar symposium was held at an ACS National Meeting several years
back and in 1997 (Las Vegas ACS) where recent developments in
reaction databases were discussed.  The dramatic increase over the last few
years in the
size of databases and the shift towards combinatorial chemistry requires new
approaches for the effective handling of available information.

During the symposium the tools under development or available today to the
practicing synthetic chemist for effectively planning the synthesis of an
individual compound or a compound library will be discussed. These include
reaction retrieval and prediction, available databases, electronic access to
the primary literature, post-search data management and others. The use of
available
programs to manage the very large amount of information now available should
be stressed.
Questions such as "How can infrequent users get the most relevant answers to
solve their
problems?" and "How can electronic tools mimick the way chemists are now
getting their
answers from a variety of sources (hardcopies)?"  should be answered.  A
critical look at existing
problems and possible solutions would enhance the value of the presentation.

Abstracts should be submitted electronically by April 15, 1999 by accessing
the URL http://207.244.115.201/acs/218nm/cinf/papers/index.cgi

If you  need more information about the symposium contact me at the address
given below.


Dr. Guenter Grethe
Director, Scientific Applications
Product Development
MDL Information Systems, Inc.
14600 Catalina Street, CA 94577
Tel.: (+1) 510-357-2222 ext.1430
Fax: (1) 510-614-3616
e-mail: guenter@mdli.com







From owner-repertoires@net.bio.net Tue Apr 06 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: Fran Martin <fmartin@CCSINC.COM>
Newsgroups: bionet.molecules.repertoires
Subject: Updated TSCA + SARA III CD-ROM
Date: 7 Apr 1999 04:18:58 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 22
Sender: daemon@net.bio.net
Approved: A.Wallace@Queens-Belfast.AC.UK
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Environmental health & safety professionals may find this reference useful:


The updated U.S EPA Toxic Substance Control Act (TSCA) Chemical Inventory of
62,000 chemicals is available cross-referenced with SARA Title III RCRA
reporting requirements on CD-ROM.

It features SARA III fields integrated with TSCA information; select U.S.
Code Chapters; CORR with TSCA 4, 5, 6, 8, and 12b (export) cross-references;
EPA PMN; Canadian DSL/NDSL; European ELINCS; and Adobe(R) Acrobat(R) (PDF)
format for instant search/retrieval.

For details see  http://www.env-sol.com/solutions/TSCASARA.HTML

Fran Martin
FM Research & Consulting







From owner-repertoires@net.bio.net Sun Apr 11 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: Andrew Wallace <A.Wallace@Queens-Belfast.AC.nospam.UK>
Newsgroups: bionet.molecules.repertoires
Subject: New Permanent Lectureships at QUB, Ireland
Date: 12 Apr 1999 03:43:05 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 112
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           THE QUEEN'S UNIVERSITY OF BELFAST
         
               INVESTING IN EXCELLENCE

    As part of a major programme of expansion, the University is
    supporting the School of Biology and Biochemistry with a major
    investment of posts to enhance its research and teaching
    activities. The School wishes to appoint people with a record of
    publications in quality, peer-reviewed journals, commensurate with
    age and experience. It is also looking for a lively and innovative
    teaching capability as part of the University's policy of balanced
    excellence.

                    Three Lectureships (Ref: 99/P141C)

    Applications are invited from individuals with strong research
    records and preferably, with some experience in tertiary level
    teaching in the following areas:

    Behaviour / Ecology

   Preferably with interests in:
    Animal Behaviour
    Animal Ecology/Conservation Biology
    Ecological Modelling
    Physiology/Ecology of Aquatic Animals

    Biochemistry

    Preferably with interests in:
    Molecular Recognition/Structure Prediction
    Molecular Enzymology
    Neurochemistry
    Signal Transduction

    Genetics/Molecular Biology

    Preferably with interests in:
    Behavioural Genetics
    Microbial Biotechnology
    Molecular Biology of Infectious Diseases
    Molecular Evolution/Bioinformatics

      2 Year Fixed Term Lectureship in Molecular Ecology and Evolution
               
               (Ref: 99/P142C)

    Preferably with interests in:
    Population Genetics
    Eukaryote Genetics
    Molecular Evolution

    Applicants must have an honours degree or equivalent in Biological
    Sciences or related discipline and a PhD in a relevant area
    together with a good track record of publications in premier
    scientific journals. Potential to obtain external funding and lead
    a team of researchers having impact nationally and internationally
    is essential for the three lectureships. The successful applicant
    for the fixed term lectureship must be able to contribute to
    lectures and practicals, and to supervise final year projects in
    the areas of population genetics, eukaryote genetics and molecular
    evolution.

    Successful candidates will be expected to develop independent
    research programmes complementing and collaborating with other
    members of the School of Biology and Biochemistry and the wider
    research community at Queen's and establishing strong national and
    international links. The successful candidates must also be
    committed to research-led teaching and preferably have some
    experience of lecturing and/or practical demonstration and/or
    supervision of student projects. Postdoctoral experience and a
    proven ability to acquire external funds are also desirable.

    Informal enquiries may be made to the School Office, Tel: 00 44
    1232 335786 or email:sobb@qub.ac.uk Further information about the
    School can be obtained on its Home Web page:
    http://www.qub.ac.uk/bb

    Salary: Lecturer Grade A 16,655 - 21,815 Pounds Sterling,
            Lecturer Grade B 22,726 - 29,048 Pounds Sterling,
            with eligibility for USS and relocation where
            appropriate.

    The appointment level will depend on qualifications, research
    record and experience.

    The University reserves the right to appoint more than one
    candidate to a particular area.

    Closing date: 5.00 pm, Friday 14 May 1999.

    Further particulars quoting reference number(s) are available from
    Personnel Office, The Queen's University of Belfast, Northern
    Ireland, BT7 1NN. Tel: (01232) 273044 or 273854 (answering
    machine). Fax: (01232) 324944 or email:personnel@qub.ac.uk

    Committed to an Equal Opportunities policy and selection on merit,
    the University welcomes applications from all sections of the
    community.



------------------------------------------------------------------
Andrew Wallace, Ph.D.
School of Biology and Biochemistry, Queen's University Belfast,
97 Lisburn Road, Belfast BT9 7BL, Northern Ireland (UK).
Tel. : +44 (0)7074 226373     Fax : +44 (0)7074 426373
Email: a.wallace@qub.ac.nospam.uk (remove "nospam" to email me)
WWW  : http://www.qub.ac.uk/bb/wallace.html




From owner-repertoires@net.bio.net Sun Apr 11 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: "Dr. Wendy A. Warr" <wendy@WARR.COM>
Newsgroups: bionet.molecules.repertoires
Subject: New on Warr Zone
Date: 12 Apr 1999 03:19:05 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 20
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Latest headings on Warr Zone http://www.warr.com/warrzone.htm

New Web Site for Chemical Design
CS Catalyst Becomes ChemNews.Com
Adept Science WebStore
ComGenex and Bayer: Combinatorial Chemistry Agreement
Bioreason Signs Software Development Agreement With Parke-Davis
New Deals for Symyx
A. Kos Consulting & Solutions Founded

Wendy
--
Dr Wendy A Warr
Wendy Warr & Associates, 6 Berwick Court
Holmes Chapel, Cheshire CW4 7HZ, England
Tel/fax +44 (0)1477 533837
wendy@warr.com   http://www.warr.com




From owner-repertoires@net.bio.net Sun Apr 11 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: Michael Sherrell <grizzly@slip.net>
Newsgroups: bionet.molecules.repertoires
Subject: LC/MS et al
Date: 12 Apr 1999 02:24:39 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 46
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Newly available LC/mass spectrometers:
     Finnigan Navigator,18 months old; factory refurbished and installed =
with 90-day warranty included, $75,000.
     Micromass Platform II LC/MS, 1994, electrospray & APCI, =
Micromass-certified, LC included, $70,000
     VG Quattro GC/LC-MS/MS, 1993, 4000 amu, EI/CI, LSIMS, ESI and APCI, =
working in lab now, price negotiable
     IonSpec MALDI FT-MS hi-res hi-sensitivity 1995 model; "most =
sensitive on market" (for specs see =
http://www.ionspec.com/hiresmaldi.html); < $100,000
I also have these peptide and oligo synthesizers and sequencers for =
sale:
    ABI 394                 $12,500 (Valve blocks rebuilt; warranteed)
    ABI 390Z               $4,000 (50-100uM yields)
    ABI 431                 $12,500 (Rebuilt, warranteed)
    ABI 433                 $19,000 (ABI upgrade)
    PerSeptive 9050+,  $6,000 (As is/was working when decommissioned; =
add $3,500 for rebuild/warranty)
    ABI 373 stretch      $9,000 (Big dye upgrade; still under warranty)
    ABI 373 stretch      $7,000 (4-filter)
    ABI 377                 $97,500 (XL; 96 lanes; transferrable ABI =
service contract)
    ABI Procise 492     $59,000 obo (ABI-certified)
    ABI Procise 494     $84,000 (ABI-certified)
NMRs:
    Bruker AM360        $85,000 (Broadband; widebore; install included)
    Varian Gemini 300  $69,000 (Proton/carbon probe; freight, install, =
90-day warr. included)
    Bruker AMX-500     $175,000 (4 probes; inverse electronics; 90-day =
warranty)
Also available:
     HP 5989B LC/MS engine, extended mass range (2000 amu), hex ion =
guide (HPLC, installation & warranty available): $45,000
     Hitachi 570 scanning electron microscope, Kevex detector, running =
now, $35,000.
     BD FACSVantage and assorted FACScans
Various other seqencers, synthesizers etc. are available; please inquire =
or check the website.

Michael Sherrell
Grizzly Analytical
707 887 2919/fax 707 887 9834
www.grizzlyanalytical.com=00




From owner-repertoires@net.bio.net Sat Apr 17 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: andy.zaayenga@bigfoot.com (Andy Zaayenga)
Newsgroups: bionet.molecules.repertoires
Subject: Announce: Laboratory Robotics CombiChem / HTS Meeting
Date: 18 Apr 1999 04:29:46 -0700
Organization: Netcom
Lines: 255
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The Laboratory Robotics Interest Group Mid Atlantic Chapter

April 1999 Meeting
Combinatorial Chemistry & High Throughput Screening

Date:=20
Wednesday, April 21, 1999

Place:=20
Hanover Marriott,1401 Rt 10 E, Whippany, NJ 07981, Phone: 973-538-8811, F=
ax:
973-538-0291

Itinerary:=20
Presentations and Discussion - 3:00 to 4:30 pm
Social Period, Vendor Exhibits, Food, Refreshments & Poster Session -  4:=
30
to 6:30 pm
Presentations and Discussion -  6:30 to 9:00 pm

Pre-Registration: Requested, not required.  Registering will allow us to
more accurately gauge seating requirements and refreshment needs.  Indica=
te
names of attendees and company affiliation.
Email:  andy.zaayenga@lab-robotics.org
Phone: (732)302-1038
Fax:      (732)302-9080

Agenda:    The Social Period will feature vendor exhibits, food and
refreshments.  Members interested in presenting a poster are encouraged t=
o
do so.  Open career positions at your company may be announced or posted.
There is no fee to attend the meeting.  Bring a business card to drop in =
the
registration fishbowl - it eases registration and qualifies you for the
rosewood pen set drawing.=20
_______________________________________

Presentation:  A New Reaction Block as the Core of an Integrated System f=
or
High Throughput Automated Organic Synthesis.
Harold N. Weller, Walter Ruediger, Wen-Jeng Li, and John A. Allen
Bristol-Myers Squibb Company, Pharmaceutical Research Institute, PO Box
4000, Princeton, New Jersey 08543

A new reaction block has been developed that forms the core of an integra=
ted
system for automated high throughput organic synthesis. Unlike many react=
ors
previously described, this new block is capable of either solid- or
solution-phase parallel synthesis. In addition, it can also be used for t=
he
cleavage step from split and pool synthesis using commercially available
MicroKan=99 reactors. The block offers large enough reaction scale to be =
used
for lead optimization, yet delivers products into standard 96-well format
for efficient post synthesis processing. The reaction block is based on a
novel multiple valve mechanism with a single functional moving part, lead=
ing
to low cost and high reliability.

Maximum efficiency of this new reactor system is obtained from consolidat=
ed
post synthesis processing regardless of synthesis method. Post synthesis
processing is based on product collection into custom microtubes in 96-we=
ll
format. Purpose built workstations process microtubes for weighing and
selection for screening.

This talk will describe the evolution and design of this new reactor syst=
em,
along with its place in an efficient overall automated synthesis operatio=
n.
_______________________________________

Presentation:  ALPHAScreen a novel non-radioactive homogeneous assay
technology for uHTS
Changjin Wang, Ph.D., Director, ALPHAScreen Technology and Systems, Packa=
rd
Instrument Company

This presentation will describe a novel assay technology termed Amplified
Luminescent Proximity Homogeneous Assay, and its applications in drug
discovery uHTS. The assay relies on two proprietary latex Donor and Accep=
tor
beads (~200 nm) and generates highly amplified long life fluorescent sign=
al
when the beads are brought into proximity upon a biological binding event.
The Donor bead contains a photosensitizer which converts ambient oxygen t=
o
the excited singlet state upon excitation by a laser at 680 nm. The Accep=
tor
bead contains a thioxene derivative that reacts with the singlet oxygen
rapidly and undergoes a quantitative first order decay with
chemiluminescence at 370 nm, which is then transferred to the coexisting
fluorephores through typical energy transfer process to generate
fluorescence signal at 520-620 nm. Because of its short life time in aque=
ous
solution (~4 usec), singlet oxygen diffuses to a distance of no more than
~200 nm. We have developed 11 ALPHA assays including kinase, protease,
helicase, protein-protein, protein-DNA, PCR, SNP detection, as well as cA=
MP
cell-based assay. I'll present data for representative assays in 384/1536
format using 1 to 20 ul volume. This technology enables quick
miniaturization for uHTS without having to increase assay concentrations.
_______________________________________

Presentation:  A Solution-Phase High-Throughput Positional Scanning Appro=
ach
Hans-Joerg Roth

1) Positional scanning approach vs. full exploration of modular scaffolds
2) An example
3) Impact on Logistics and Infrastructure
4) Typical mistakes in parallel synthesis concepts
5) Conceptual conclusions
_______________________________________

Presentation:  COMPARATIVE STUDY ON THE FEASIBILITY OF THE ENZYME ASSAYS =
AND
CELLULAR REPORTER GENE ASSAYS IN YEAST IN THE 96-, 384- AND 1536-WELL PLA=
TE
FORMAT
M. Berg, K. Undisz, R. Thiericke, S. Grabley, T. Moore* and C. Posten**
Hans-Knoell-Institut f=FCr Naturstoff-Forschung e.V., Beutenbergstr. 11,
D-07745 Jena, Germany, Tel.: ++49 3641 656926, Fax: ++49 3641 656944
* OPAL Jena GmbH, Goeschwitzerstr. 40, D-07745 Jena, Germany
** Institut f=FCr Mechanische Verfahrenstechnik und Mechanik der Universi=
taet
Karlsruhe (TH), Kaiserstr. 12, D-76185 Karsruhe, Germany

Today=92s demands in the drug discovery process force pharmaceutical comp=
anies
to screen an ever increasing number of compounds against an increasing
amount of targets. Consequently, miniaturization of established assays ha=
s
become an advantageous means in high-throughput-screening (HTS) to meet
reagent and sample cost, turnaround and space requirements. One way to
realize this is to move from the standard 96-well plate to higher density
microplate formats.

This talk will describe the adaptation of two fluorescence-based assay
systems to the challenges of the 1536-well plate format from both the
engineer=92s and biochemist=92s point of view. We optimized liquid handli=
ng
parameters of the micropipetting device JOBIwellTM (Jenoptik-Bioinstrumen=
ts
GmbH, Germany) using fluorescein-isothiocyanate as fluorescence dye. On t=
his
basis pipetting routines were established for an enzyme assay
(=DF-galactosidase) and a transcription assay in yeast (human progesteron=
e
receptor, hPR) in the 384- and 1536-well format. Finally, the experimenta=
l
results were compared to those obtained in the well-established 96-well
format.

In all three assay formats, bioconversion of
fluorescein-di-=DF-D-galactopyranoside occurred as a function of the
=DF-galactosidase concentration (in vitro assay) and the reporter gene
expression showed the expected dependence on the ligand=92s dose and affi=
nity
(yeast transcription assay), respectively. We conclude that miniaturizati=
on
using the higher density 384- and 1536-well plate formats is advantageous=
 as
the next evolutionary step in HTS. JOBIwellTM proves to be a powerful too=
l
for a careful adaptation of the liquid handling procedures.
_______________________________________

Presentation:  Combinatorial synthesis using the IRORI Accutag system
David M. Gange, Ph.D.

During my talk I will discuss our experiences with the IRORI Accutag
high-throughput synthesis system. I'll cover our use of the system, its'
strengths, weaknesses, and how we plan to use the IRORI system in the
future.
_______________________________________

Presentation:  Development of Fluorescence Polarization and FRET Assays f=
or
Tyrosine and Serine/Threonine Kinases
Dr. Jinzi J. Wu, Senior Scientist III, Head of Assay Development and
Optimization Lab, US Lead Finding
Novartis Pharmaceuticals Corporation, Summit, NJ

Homogeneous fluorescence approaches such as FRET and FP are very importan=
t
technologies for developing effective HTS assays for discovering therapeu=
tic
leads of kinases. This presentation will compare FRET and FP technologies
for both tyrosine and serine/threonine kinase assays in terms of
sensitivity, reliability and cost of reagents. The presentation will focu=
s
on discovery of a high affinity anti-phosphoserine antibody and applicati=
ons
of this antibody in the development of FP assays for a number of
serine/threonine kinases. The preliminary screening data will also be
discussed.
_______________________________________

Exhibitors:

Advanced ChemTech
Amersham Pharmacia Biotech
Argonaut
B-D Falcon
Beckman Coulter
Bohdan Automation
Cartesian Technologies, Inc.
CCS Packard
Corning, Inc
CRS
Gilson, Inc
Hudson Control Group
IGEN
Labsystems
LEAP Technologies
LJL BioSystems
Marsh Biomedical Products
MDL
Nalge Nunc International
NEN Life Science Products
PE-Biosystems
QIAGEN, Inc./ROSYS, Inc.
Robbins Scientific Corp.
Skatron Instruments
S-T Robotics
Tecan US
TekCel
Titertek
Tomtec
 _______________________________________

Directions (on line directions at http://marriotthotels.com/EWRHO/):
Take Route 287 to Exit 39 (Route 10 West). Go through one stoplight and t=
ake
1st u-turn.=20
_______________________________________

Andy Zaayenga
Secretary, The Laboratory Robotics Interest Group
LRIG Home & Mid Atlantic Chapter
1730 West Circle Drive
Martinsville, NJ  08836-2147
Office: (732)302-1038
Fax:    (732)302-9080
eFax:   (630)604-2935
mailto:andy.zaayenga@lab-robotics.org
web site: http://lab-robotics.org
        =20




From owner-repertoires@net.bio.net Sun Apr 18 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: Steve Heller <chem@FELDMANN.NIST.GOV>
Newsgroups: bionet.molecules.repertoires
Subject: ChemInt'99 - Abstract Submission Deadline extended
Date: 19 Apr 1999 04:00:48 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 61
Sender: daemon@net.bio.net
Approved: A.Wallace@Queens-Belfast.AC.UK
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Message-ID: <SIMEON.9904190924.A@muahost.fujin.qub.ac.uk>
NNTP-Posting-Host: net.bio.net

This note is to announce that final abstract submission date for poster
talks at ChemInt'99 (www.chemint.org) has been extended to June 1, 1999.
The web Abstract Submission form for ChemInt'99 is now operational for the
Chemistry and the Internet (ChemInt'99) meeting.  A number of abstracts
have been submitted and those which have been accepted have been posted on
the ChemInt'99 web site.  ChemInt'99 is being held in at Georgetown
University in Washington DC on September 25-27, 1999.

The program of invited speakers and panel members of the 3 panel sessions
is available on the meeting web site - www.chemint.org

You are urged to look at the program and to consider submitting a
poster paper to the meeting.  A number of poster papers will be selected
for oral presentation at the meeting.

The main lecturers for the meeting will be:

Alan Arnold, University College (UNSW)
Steven Bachrach, Northern Illinois University
Robert Bovenschulte, ACS
Stephen Boyer, IBM
Karl Harrison, Oxford University
Clemens Jochum, Deutsche Bank
Gary Mallard, NIST
Tom Pierce, Rohm & Haas
Jerome Reichman, Vanderbilt
Achim Zielesny, Bayer AG
Steven S. Zumdahl, University of Illinois at Urbana-Champaign


The (current) corporate sponsors for the meeting are:
ChemWeb and the Internet Journal of Chemistry

Technical Sponsors are:

ACS CINF Division
ACS COMP Division
The Chemical Structure Association (CSA)
Georgetown University - Department of Chemistry
International Union of Pure and Applied Chemistry (IUPAC) (pending)
Japan Association for International Chemical Information (JAICI)
Special Libraries Association (SLA) Chemistry Division
Royal Society of Chemistry (RSC)



Steve Heller



Steve Heller, Guest Researcher
NIST/SRD, Mail Stop: 820/113
820 Diamond Avenue, Room 101
Gaithersburg, MD 20899-2310 USA
E-mail:  chem@feldmann.nist.gov







From owner-repertoires@net.bio.net Tue Apr 20 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: Joan Boyce <boyce@cshl.org>
Newsgroups: bionet.molecules.repertoires
Subject: 1999 Source Book available Free for Researchers
Date: 21 Apr 1999 02:47:04 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 20
Sender: daemon@net.bio.net
Approved: A.Wallace@Queens-Belfast.AC.UK
Distribution: world
Message-ID: <371CD2D8.7F0A@cshl.org>
Reply-To: boyce@cshl.org
NNTP-Posting-Host: net.bio.net

Obtain a free copy of the 1999 Source Book (publication date May 10th),
a comprehensive guide to bioresearch products, by filling in the request
form at the BioSupplyNet site: http://www.biosupplynet.com. The Source
Book provides up-to-date information about reagents, lab
instrumentation, antibodies, custom services and supplies for high
throughput analysis. 

The unique organization of the Source Book simplifies product searching
and speeds the gathering of comparative information. The Source Book
indexes products in 2650 categories, and provides up-to-date contact
information, including WWW and e-mail addresses, for 3500 suppliers.
Bench Basics comparative tables allow apples-to-apples comparisons of
products. A special Lab Set-up Check List simplifies the process of
putting together a new laboratory.

Order your free copy at The BioSupplyNet web site at
http://www.biosupplynet.com




From owner-repertoires@net.bio.net Sun Apr 25 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: John Nelson <John.Nelson@Queens-Belfast.AC.UK>
Newsgroups: bionet.molecules.repertoires
Subject: Cancer Research Studentship at QUB, Ireland
Date: 26 Apr 1999 06:53:36 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 32
Sender: daemon@net.bio.net
Approved: A.Wallace@Queens-Belfast.AC.UK
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NNTP-Posting-Host: net.bio.net

Structure/function relationships in Epidermal Growth Factor 

Action Cancer Postgraduate Studentship

A three year Action Cancer (NI) funded postgraduate studentship will 
be available from October 1999 in the Centre for Peptide and Protein 
Engineering within the School of Biology and Biochemistry, Queen's 
University Belfast. The project will extend ongoing studies within 
the Centre on structure/function relationships in Epidermal Growth 
Factor (EGF). This molecule and its cognate receptor are potential 
therapeutic targets in the control of tumour growth and metastasis. 
The successful applicant must have a first class or upper second 
class degree in Biochemistry or Molecular Biology or closely related 
subject. The student will firstly develop a random library of EGFs 
with mutations in specific regions of the molecule, this will be 
followed by selection for receptor binding species whose 
bioactivities will then be characterised. The stipend will be at MRC 
rates (currently 7070 pounds Sterling rising to 7910 p.a over three 
years) with full fees paid. 

For further details and application procedure please contact: 
Dr John Nelson, Centre for Peptide and Protein Engineering,
School of Biology and Biochemistry, QUB, 97 Lisburn Road,
Belfast BT9 7BL, Ireland. 
(e-mail: john.nelson@qub.ac.uk; Telephone: +44 1232 272107) 
Applications should be lodged by 15th May 1999.







From owner-repertoires@net.bio.net Sun Apr 25 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: "Wang, Kevin" <Kevin.Wang@WL.COM>
Newsgroups: bionet.molecules.repertoires
Subject: Register for The Calpain System in Health and Disease, FASEB summer
Date: 26 Apr 1999 06:28:21 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 43
Sender: daemon@net.bio.net
Approved: A.Wallace@Queens-Belfast.AC.UK
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NNTP-Posting-Host: net.bio.net

The Calpain System in Health and Disease 
A FASEB summer Research conference June 20-25, 1999, 
Copper Mountain, Colorado, USA 

28 invited international speakers  

For Application form,  go to http://www.faseb.org/meetings/src/src99.html
(Due May 20)

  20  June (Sun)  pm    Keynote Address:   Dr. Koichi Suzuki 

  21  June (Mon)  am    Calpain Structure/Calpain Isoforms
                          S. Narayana;  Z. Jia;  H. Sorimachi                                             
                  pm    Calpain Isoforms/Novel Calpains.
                           Dear; A. A. Siddiqui; P. Friedrich; D. Mykles

  22 June (Tue)   am    Calpastatin and Calpain Inhibitors.
                             M. Maki; E. Melloni;  P. Antin; K.K.W. Wang 
                  pm    Regulation of Calpain Activity.                               
                             D.E. Goll.;  D. Croall;  E. Carafoli

  23 June (Wed)   am    Functions of the Calpain System I.                                 
                             J.E.B. Fox; R. Mellgren;  G.V.W. Johnson;  J. Elce
                  pm    Functions of the Calpain System II.                               
                             P. Cottin, N. Banik, A. Belcastro

  24 June (Thurs) am   Calpains and Tissue Pathologies I.                                 
                             J. S. Beckman;  M. Spencer., A. Stracher
                  pm    Calpains and Tissue Pathologies II.
                             K. S. Lee;  Selected Oral Presentations

  25 June (Fri)   am   Calpains and Tissue Pathologies III.
                             T. Shearer; S. Orrenius; R.L. Hayes
                     
------------------------------------------------------------------------
The conference fees are $815 for single, $665 double, and $635 multiple occupancy. 
These fees include the scientific sessions, five nights in the hotel and 3 meals each day.   http://www.faseb.org/meetings/src/99copper.html  http://www.informatik.uni-rostock.de/HUM-MOLGEN/meetings/meetings/0813.html







From owner-repertoires@net.bio.net Sun Apr 25 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: Fran Martin <fmartin@CCSINC.COM>
Newsgroups: bionet.molecules.repertoires
Subject: 225,000+ MSDS CD-ROM
Date: 26 Apr 1999 02:35:45 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 17
Sender: daemon@net.bio.net
Approved: A.Wallace@Queens-Belfast.AC.UK
Distribution: world
Message-ID: <SIMEON.9904261019.B@muahost.fujin.qub.ac.uk>
NNTP-Posting-Host: net.bio.net

Professionals responsible for employee safety, Hazard Communications Plans,
government-mandated MSDS libraries, and hazardous materials reporting may
find this a useful reference:

A database of over 225,000 Material Safety Data Sheets (MSDS) for trade name
and generic chemicals has been updated on a three-CD-ROM set.  The set
features the Environmental Reporting Assist File (ERAF) and Registry of
Lists (ROL) databases.

See  http://www.env-sol.com/solutions/MSDS.HTML  for details.

Fran Martin
FM Research & Consulting





From owner-repertoires@net.bio.net Mon Apr 26 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: Guenter Grethe <Guenter@MDLI.COM>
Newsgroups: bionet.molecules.repertoires
Subject: 5th International Conference on Chemical Structures - Final Program
Date: 27 Apr 1999 04:12:57 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 402
Sender: daemon@net.bio.net
Approved: A.Wallace@Queens-Belfast.AC.UK
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NNTP-Posting-Host: net.bio.net

I APOLOGIZE FOR DUPLICATE POSTINGS.

The Fifth International Conference on Chemical Structures is only a few
weeks away (June 6 - 10).  The Organizing Committee has put together an
exciting program which is attached to this message.  Those of you who
participated in one of the earlier conferences know that this is one of the
important venues for Chemical Information practitioners.  In case you make a
last-minute decision to participate please register as soon as possible as
we are running out of rooms at the center.  You can find information about
registration on our web site at
http://ChemWeb.com/conference/5iccs/5iccs.html.



Guenter Grethe
Conference Chair

Dr. Guenter Grethe
Director, Scientific Applications
Product Development
MDL Information Systems, Inc.
14600 Catalina Street, CA 94577
Tel.: (+1) 510-357-2222 ext.1430
Fax: (1) 510-614-3616
e-mail: guenter@mdli.com



TECHNICAL PROGRAM
FIFTH INTERNATIONAL CONFERENCE ON CHEMICAL STRUCTURES

June 6 - June 10, 1999

Leeuwenhorst Congress Center
Noordwijkerhout, The Netherlands

SCHEDULE OF EVENTS
FINAL PROGRAM


Sunday, June 6

 9:00-17:00   Registration

 17:00        Opening Session
              Keynote Address: "The Internet and Electronic Publishing - A Disruptive
              Technology", Stephen Heller, NIST/SRD

 18:00        Welcoming Reception, courtesy of MDL Information Systems
 19:30        Rijsttafel Dinner, courtesy of Chemical Abstracts Service


Monday, June 7

 8:30          Opening Remarks: Guenter Grethe

               Session A  -  Combinatorial Chemistry: Library Design
               Peter Willett, Presiding

 8:45         "Trends in Combinatorial Chemistry", Wendy A. Warr, Wendy Warr &
               Associates

 9:15         "Sensitivity Analysis and Other Improved Tools for Combinatorial
               Library Design and Mixture Representation", Eric Martin, Chiron 
               Corporation

 9:45         "Structure Based Design of Combinatorial Libraries", Robert D. Brown,
               Molecular Simulations Inc.

10:15          Break

10:45         "Enhancing Hit-To-Lead Properties of Diverse Libraries", 
               Stephen D. Pickett, Rhone-Poulenc Rorer

11:15         "De Novo Design of Synthetically Accessible Ligands", 
               A. Peter Johnson, University of Leeds

11:45         "Optimisation of 3D Focussed Libraries with PLUMS", 
               Gianpaolo Bravi, GlaxoWellcome UK 

12:15         "The Design of Maximum Information Libraries as a Highly 
               Efficient Tool for Lead Generation and Evolution", 
               Peter Grootenhuis, CombiChem

13:00          Lunch

14:00-22:00    Exhibits Open -  Atrium 
               Poster Session Open (see listing below) - Atrium 
               (authors will be present from 14:00 - 18:00)
               John Blackmore and Jacques Weber, Presiding

18:30          Reception and Buffet Dinner - Atrium


Tuesday, June 8

               Session B - Combinatorial Chemistry: Diversity, QSAR
               Gerald Maggiora, Presiding

  9:00        "Computer Manipulation of Large Virtual Combinatorial Libraries
               for Diversity Analysis and Subset Selection", John M. Barnard,
               BCI Ltd.

  9:30        "Potential Drugs and Non-Drugs: Prediction and Identification 
               of Important Structural Features", Markus Wagener, NV Organon

10:00         "Advances in the Design and Visualization of Combinatorial Libraries",
               Dimitris K. Agrafiotis, 3-Dimensional Pharmaceuticals,   
               Inc. 

10:30          Break

11:00         "High Throughput and Combinatorial qSAR", Trevor Heritage, 
               Tripos Inc.

11:30         "Reduced Graphs as Descriptors of Bioactivity", Valerie J. Gillet, 
               University of Sheffield

12:00         "Quantum Mechanical Modeling in the Cheminformatics Age", 
               Nick Jones, Oxford Molecular Group

12:30         "Datamining the CAS databases for Biological Activity", 
               William Fisanick, Chemical Abstracts Service

13:00          Lunch

14:00-22:00    Exhibits Open 
               Poster Session Open  (see listing below)

               New Product Review Session 
               Rainer Moll, Presiding

14:30         "Chemistry First - Accord Solutions for the Enumeration Problem", 
               Julian Hayward, Synopsys Scientific Systems Ltd.

14:55         "RS3 for Excel", Sheila Ash, Oxford Molecular Limited

15:20         "3D Molecular Design and Visualization Toolkit", Zsolt Zsoldos, 
               SimBioSys Inc.

15:45          Break

16:10         "Java Applets and Modules Supporting Chemical Database Handling 
               from Web Browsers", Ferenc Csizmadia, ChemAxon Ltd.

16:35         "LINK - Springer Verlag", Getraud Griepke, Springer-Verlag

17:00         "ACD/LAB: Web-Based Chemical Property Prediction Center", 
               Val Kulkov, Advanced  Chemistry Development, Inc.

17:25         "An Integrated Software System for Processing, Prediction, 
               Spectral Management and Automated Structure Elucidation", 
               Antony J. Williams, Advanced Chemistry Development Inc.

18:15          Open Meeting of the CSA

19:30          Dinner


Wednesday, June 9

               Session C - Web Applications, ChemInformatics, Reactions
               Johann Gasteiger, Presiding

 8:30         "Dataflow Programming in a WWW Environment", Wolf D. Ihlenfeldt, 
               University of Erlangen-Nurnberg

 9:00         "Experiences with Web-Based Tools in Teaching Chemical Information", 
               Engelbert Zass, ETH Zurich

 9:30         "The ChemWeb Chemistry Whiteboard - An Aid to Communication of 
               Chemical Information in a Virtual Community", Brian Vickery, 
               ChemWeb Inc.

10:00         "Cross Domain Integration in the Life Sciences - The Role of CORBA 
               and the Object Management Group", Andrew Payne, 
               NetGenics UK Ltd.

10:30          Break

11:00         "Adding Chemical Objects and Operators to SQL: Experiences with 
               Oracle(TM) 8i Data Cartridge Technology", Raymond E. Carhart, 
               MDL Information Systems, Inc. 

11:30         "The Chemical Workbench - A Reaction-Centered Synthesis Design 
               Tool", Hartmut Braun, Hoffmann La Roche

12:00         "Topology-Based Reaction Classification: An Important Tool for 
               Efficient Management of Reaction Information", Heinz Matuszczyk, 
               InfoChem GmbH

12:30         "The Predicting of Organic Reaction Products: Determining the 
               Best Reaction Conditions", Marco Durante, Universita' degli 
               Studi di Milano

13:00          Box Luncheon

13:30          Excursion and Conference Dinner
               Busses leave from the Conference Centre 


Thursday, June 10

               Session D - Modeling, Similarity, QSAR
               Vincent van Geerestein, Presiding

 8:30         "Addressing Conformational Flexibility", Christof H. Schwab, 
               University of Erlangen-Nurnberg

 9:00         "A Novel Treatment of Conformational Flexibility Using Interval 
               Analysis, Miklos Vargyas, University of Leeds

 9:30         "A New Approach to Molecular Docking and Its Application in 
               Screening Compound Databases, Carol A. Baxter, Proteus Molecular 
               Design Ltd.

10:00         "Field-Based Similarity Forcing: A Conformationally-Flexible 
               Approach to Molecular Matching", Gerald M. Maggiora, 
               Pharmacia & Upjohn

10:30          Break

11:00         "Reference Panel Optimization for Flexsim-X: A Method to Detect 
               Molecules With Similar Biological Activity", Uta Lessel, 
               Boehringer Ingelheim Pharma KG

11:30         "Example of Successful Prediction of Biological Activities", 
               Eugene V. Babaev, Moscow State University

12:00          Panel Discussion - Conference Summary

12:30          Closing Remarks: Guenter Grethe

13:00          Lunch

Posters

"REACTION", Edward S. Blurock, RISC-LINZ, Johannes Kepler University, Linz

"How to Discover Experimentally Novel Recyclization Reactions Using the Program 
 GREH", Eugene V. Babaev, Moscow State University

"Pseudo-Hypergraphs and Hypertopoids: Novel Topological Objects Suitable to 
 Describe the Molecules with Multi-Centered Bonds", Eugene V. Babaev, 
 Moscow State University

"Multilevel Neighborhoods of Atoms as the Sub-Structural Topological Descriptors 
 for Predicting the Bioactivities and Properties of Compounds", Dmitrii Filimonov,
 Institute of Biomedical Chemistry RAMS, Moscow; presented by Eugene V. Babaev, 
 Moscow State University (tentative)

"Predicting the Structure of the Drug-Receptor Complex: A Quantum Chemistry 
 and Thermodynamic Model", Gerardo Gonzales, University of Camguey, Cuba

"A Theoretical Study about the Transition State of the Nitration of Flavonoids 
 and its Relationship to its Carcinogenic Power, Elismary Rodriguez, 
 University of Camguey, Cuba

"Modelling Synthetic Organic Peroxides in the Search of Potent Antimalarial Agents. 
 Refinement Studies of the Hypothetical Pharmacophore", Jaques Weber, 
 University of Geneva

"Graph-Theoretical Techniques for Macromolecular Docking", Eleanor J. Gardiner, 
 University of Sheffield

"The Use and Development of the Molecular Vibrational Descriptor EVA for QSAR 
 Studies and Similarity Calculations", David Turner, University of Sheffield

"Identification of Bioisosteres Using Field-Based Similarity Searching", 
 Ansgar Schuffenhauer, University of Sheffield

"Three-Dimensional Similarity of Functional Groups", Paul Watson, 
 University of Sheffield

"A Genetic Algorithm for Clustering Datasets via their Modes of Action", 
 David Wilton, University of Sheffield

"Classification of Molecular Bioassay Data", David B. Turner, 
 University of Sheffield

"Alignment of Molecular Fields for 3D-QSAR Using FBSS", Nicholas Jewell, 
 University of Sheffield

"Evaluation of Three-Dimensional Structural Similarities of Angiotensin 
 Antagonists by Means of a Hybrid Method, Sandra Handschuh, 
 University of Erlangen-Nurnberg

"Expert System Assisted Pharmacophore Identification", Attilla K.T. King, 
 University of Leeds

"Using Pharmacophore Similarity as a Basis for Compound Selection", 
 Richard D. R. Postance, Oxford Molecular Group

"Modelling of Supramolecular Structure and Mechanisms of Thermo- and 
 Photochemical Decomposition of 3d-Metals Hypophosphites", 
 L.A. Pavlyukhina, Institute of Solid State Chemistry and 
 Mechanochemistry SBRAS, Novosibirsk

"A Large Database of Organic Substituents with Calculated Properties 
 (and what can be done with it)", Peter Ertl,  Novartis  Crop Protection AG

"A Universal Model for all Organic Solvent/Water Partition Coefficients.  
 Local LogP Maps Near Selected Atoms", Francisco Torrens, University of 
 Valencia

"Molecular Modelling of Calix[n]arene Inclusion Complexes: A Basic Study", 
 Darren Fayne, Dublin City University 

"Conformational Analysis of Complexes of Phosphine Oxide Calix[4]arenes with 
 Group 1 and 2 Cations", Paddy Kane,  Dublin City University

"Fuzzy Definition of Molecular Fragment in Chemical Structures", 
 Barbara Debska, Rzeszow University of Technology

"Structure Elucidation by Expert System Generated from Infrared Spectral 
 Database",  Barbara Debska, Rzeszow University of Technology

"Automated Structure Elucidation from1D C-13 Spectral Data", Antony Williams, 
 Advanced Chemistry Development, Inc.

"NMR Prediction Software and Tubeless NMR - An Analytical Tool for Screening 
 of Combinatorial Libraries", Antony Williams, Advanced Chemistry Development, 
 Inc.

"Maximum Common Substructures of Organic Compounds Exhibiting Similar Infrared 
 Spectra or Mass Spectra", Kurt Varmuza,  Vienna University of Technology

"Substructure Isomorphism Matrix: Software and Applications", Kurt Varmuza, 
 Vienna University of Technology

"Name=3DStruc: Automated Generation of Structural Diagrams from Chemical Names", 
 Jonathan Brecher, CambridgeSoft Corporation

"A Comparison of 2D Fingerprint Types and Hierarchy Level Selection Methods 
 for Structural Grouping Using Ward's Clustering", David J. Wild, Parke-Davis 
 Pharmaceutical Research

"Computer Search for High Energetic Organic Compounds from the Automatically 
 Generated Chemical Structure Database", M. Karthikeyan, ARDE, India

"Internal Rotation Studies on Some Aromatic Nitrocompounds", Pei-Chung Chen, 
 Institute of Technology, Taiwan

"Cheshire: A New Scripting Language for Chemical Structure Manipulation", 
 Joseph L. Durant, MDL Information Systems, Inc.

"MIRACLE - Managing the Inventory of Available Chemicals in Laboratories", 
 Heinz A. Krebs, Technische Universitaet Wien

"The Development of a Web Based System for the Online Shopping of Compounds", 
 Ferenc Csizmadia, ChemAxon

"A New Format for the Efficient Storage of Molecular Structures", 
 Peter Csizmadia, ChemAxon

"A Novel Graph Descriptor for Cyclic Molecules : The Smallest Set of Rings 
 which Contains All Bonds (SSRCAB). Application as Screening Criterion for 
 Structure Search in Large Databases of Organic Compounds, Laurent Dury, 
 University Notre-Dame de la Paix, Namur

"Rule-Based System for Chemistry", Kyi Kyi Tin, Assumption University of Thailand

"Organizational and Technical Aspects of Academic Database Cooperation", 
 Engelbert Zass, ETH Zurich

"Fingerprint-Based Methods for Selective Compound Acquisition", Nick Rhodes, 
 University of Sheffield

"Binning Schemes for Partition-Based Compound Selection", Martin J. Bayley, 
 University of Sheffield

"Accessing the Three-Dimensional World of Molecules", Christof H. Schwab, 
 Molecular Networks GmbH Computerchemie

"VLSPROUT - A Structure-Based Virtual Library Screening System", 
 Jean-Francois Marchaland, University of Leeds

"Diversity Measures for Enhancing ADME Admissibility of Combinatorial Libraries.  
 The Mediverse Approach", Ferenc Darvas, ComGenex Inc.

"Analyzing HTS Data - An Approach Using Neural Networks", Andreas Teckentrup, 
 University of Erlangen-Nurnberg.

"Preliminary Handling of Virtual Library", Andrey Efimov, ChemBridge Ltd.

"LiBrain, An Intelligent System for the High Thoughput Design of Combinatorial 
 Libraries in Drug Discovery", Shenghua Shi, Alanex Corporation

"WebLab MedChem Explorer and Diversity Explorer", Robert Brown, Molecular 
 Simulations, Inc.

"ClariNet: A Tool for the Exploitation of Experimental Structural Databases", 
 Veronique Guerin, Rhone-Poulenc-Rorer CRVA

"Searching Chemical Structure and Reaction Data via the Internet", 
 Michael Wittmann, InfoChem GmbH

"Use of Intranet and Internet Technologies for Publishing Chemical Structure 
 and Reaction Information", Robert A. Scoffin, CambridgeSoft Corporation




From owner-repertoires@net.bio.net Mon Apr 26 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: frank.logullo@dol.net
Newsgroups: bionet.molecules.repertoires
Subject: Re: 225,000+ MSDS CD-ROM
Date: 27 Apr 1999 02:36:55 -0700
Organization: Deja News - The Leader in Internet Discussion
Lines: 29
Sender: daemon@net.bio.net
Approved: A.Wallace@Queens-Belfast.AC.UK
Distribution: world
Message-ID: <7g2b8b$rr5$1@nnrp1.dejanews.com>
References: <SIMEON.9904261019.B@muahost.fujin.qub.ac.uk>
NNTP-Posting-Host: net.bio.net

In article <SIMEON.9904261019.B@muahost.fujin.qub.ac.uk>,
  Fran Martin <fmartin@CCSINC.COM> wrote:
> Professionals responsible for employee safety, Hazard Communications Plans,
> government-mandated MSDS libraries, and hazardous materials reporting may
> find this a useful reference:
>
> A database of over 225,000 Material Safety Data Sheets (MSDS) for trade name
> and generic chemicals has been updated on a three-CD-ROM set.  The set
> features the Environmental Reporting Assist File (ERAF) and Registry of
> Lists (ROL) databases.
>
> See  http://www.env-sol.com/solutions/MSDS.HTML  for details.
>
> Fran Martin
> FM Research & Consulting

Thanks for posting this.  I write MSDS's and am always in need of sources and
had considered this one.  Unfortunately what it does in quantity is lacking
in quality. Does not follow recommended ANSI format and the acetone MSDS
listed did not even contain DOT UN number. Frank

>
>

-----------== Posted via Deja News, The Discussion Network ==----------
http://www.dejanews.com/       Search, Read, Discuss, or Start Your Own    




From owner-repertoires@net.bio.net Tue Apr 27 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: JONATHAN GERSON <jgerson@ibcusa.com>
Newsgroups: bionet.molecules.repertoires
Subject: Combinatorial Chemistry Information
Date: 28 Apr 1999 05:12:10 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 43
Sender: daemon@net.bio.net
Approved: A.Wallace@Queens-Belfast.AC.UK
Distribution: world
Message-ID: <17K937YL.7O04YE6W@ibcusa.com>
NNTP-Posting-Host: net.bio.net




*Ultra High Throughput Screening

*Case studies on how to implement a combinatorial chemistry program

*Design smarter libraries

All these topics and more at IBC's 4th Annual Combinatorial Chemistry
Conference - From Concept to Clinic.  June 28-29, 1999, La Jolla, CA.
Space is filling up, reserve your place today.
http://www.ibcusa.com/2353/default.asp?DEAL=EM1

****
Drug and Market Development Newsletter - Bridging the gap between R&D
and marketing in the pharmaceutical and biotechnology market.  Free
feature article - this month's - Proteomics in Europe.
http://www.ibcusa.com/dmd/newsletter

****
Hear from the leaders - Leroy Hood, M.D., Ph.D., University of
Washington, Michael Pavia, Ph.D., Millennium Pharmaceuticals, Inc.,
George Poste, Ph.D., SmithKline Beecham Pharmaceuticals,  Stuart L.
Schreiber, Ph.D., Harvard University.
Only at IBC's Drug Discovery Technology 1999 - The World's Drug
Discovery Meeting Place
http://www.drugdisc.com

****
For further information, visit http://www.ibcusa.com
Or contact Jonathan Gerson, jgerson@ibcusa.com
IBC USA Conferences
225 Turnpike Road
Southborough, MA 01772
508-481-6400








From owner-repertoires@net.bio.net Tue Apr 27 23:00:00 1999
Path: biosci!biosci!not-for-mail
From: Ben Dunn <bdunn@COLLEGE.MED.UFL.EDU>
Newsgroups: bionet.molecules.repertoires
Subject: International Conference on Protease Inhibitors
Date: 28 Apr 1999 09:39:57 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
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Dear Protease Researchers:

       We have established a web site for the 2nd International
Conference on Protease Inhibitors. The URL for this is:

    http://www.ufbi.ufl.edu/conferences/icpi

Please examine this site and consider attending this conference.
There will be chanages to the web site as time goes by. We already
have additional invited speakers to post, for example.
      As indicated, we are calling for contributions and would like
to receive information about exciting new developments that should be
presented at the meeting. I look forward to hearing from you. Best
wishes, Ben Dunn


Ben M. Dunn, Distinguished Professor
Biochemistry & Molecular Biology
University of Florida College of Medicine







