1 results match your criteria: "V.N. Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences[Affiliation]"
PASS biological activity spectrum predictions in the enhanced open NCI database browser.
J Chem Inf Comput Sci
April 2003
Laboratory of Structure-Function Based Drug Design, V.N. Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, 10 Pogodinskaya Street, Moscow 119121, Russia.
Article Synopsis
- The PASS program has been applied to approximately 250,000 compounds from the NCI Open Database, leading to the integration of over 64 million predictions in the Enhanced NCI Database Browser.
- A total of 565 types of biological activities are predicted, covering areas like pharmacological effects, mechanisms of action, and toxicities.
- Users can perform complex searches using predicted activity probabilities combined with criteria such as physicochemical properties and structural fragments.