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Bioinformatics Vol. 16 no. 8 2000
Pages 747-748
© 2000 Oxford University Press


Applications Note

PASS: prediction of activity spectra for biologically active substances

Alexey Lagunin 1, Alla Stepanchikova 1, Dmitrii Filimonov 1 and Vladimir Poroikov 1

1 Laboratory of Structure-Function Based Drug Design, Institute of Biomedical Chemistry RAMS, Moscow, Pogodinskaya str., 10, 119832, Russia

Received on November 26, 1999 ; revised on December 11, 1999 ; accepted on March 21, 2000

Summary: The concept of the biological activity spectrum was introduced to describe the properties of biologically active substances. The PASS (prediction of activity spectra for substances) software product, which predicts more than 300 pharmacological effects and biochemical mechanisms on the basis of the structural formula of a substance, may be efficiently used to find new targets (mechanisms) for some ligands and, conversely, to reveal new ligands for some biological targets. We have developed a WWW interface for the PASS software. A WWW server for the on-line prediction of the biological activity spectra of substances has been constructed.

Availability: http://www.ibmh.msk.su/PASS/

Contact: pass{at}ibmh.msk.su


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