PASS: prediction of activity spectra for biologically active substances
Alexey A. LaguninLaboratory of Structure-Function Based Drug Design, Institute of Biomedical Chemistry RAMS, Moscow, Pogodinskaya str., 10, 119832, Russia. [email protected]Alla StepanchikovaDmitrii FilimonovVladimir Poroikov
2000en
ABI
Abstract
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.
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