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about biological potential of your compounds.

PASS Online predicts over 4000 kinds of biological activity, including pharmacological effects, mechanisms of action, toxic and adverse effects, interaction with metabolic enzymes and transporters, influence on gene expression, etc.

To obtain the predicted biological activity profile for your compound, only structural formula is necessary; thus, prediction is possible even for virtual structure designed in computer but not synthesized yet.

Accessing to PASS Online service requires a prior Registration, which is free but one should agree with the Terms & Conditions for usage of this service.

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Meet with the members of Way2Drug Team at the Mathematical Modelling Workshop "Current and Future Perspectives of micro- and macro modelling of infectious diseases: from system biology to control and dynamics" in Riga, Latvia on January 13-15, 2016. (Link...).
Meet with the members of Way2Drug Team at the Symposium "e-Pharma – IT" in Moscow, Russia on December 9th, 2015. (Russia). (Link... | Program).
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Multilevel Neighborhoods of Atoms (MNA) structure descriptors of a molecule are generated on the basis of connection table and table of atoms types presented the compound...

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PASS predicts simulta- neously 3678 kinds of activity with mean accuracy of prediction about 95% (leave-one-out cross validation) on the basis of the compound's structural formula. ...

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Current and past publications, including statistical reports, surveys, press releases, circulars and legislation, are available in electronic format from this section.

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You can download and use locally PASS demo version, which predicts 50 biological activities, and test it on your computer. It possible make a batch with several compounds at the same time.

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