Indexes of chemical compounds

[Sidorov Igor]

Can anybody give me some pointers towards algorythms for 
    1) calculation of indexes (topologic indexes, distance matrix indexes, 
       any other) of chemical compounds using known chemical structures;
    2) diagnosing the chemical properties using chemical structure.

Thanks in advance for any information or advice.

Igor Sidorov,
Institute of Biochemistry and 
Physiology of Microorganisms, RAS,
e-mail: sidorov at ibpm.serpukhov.su