PASS specifications


Unique identifier OMICS_18393
Alternative name Prediction of Activity Spectra for Substances
Software type Package/Module
Interface Graphical user interface
Restrictions to use License purchase required
Input data A 2D structural formula of chemical compound.
Input format MOL, SD
Output data Some pharmacotherapeutic effects, biochemical mechanisms, toxicity, metabolism, gene regulation expression, transporter-related activities.
Operating system Mac OS, Windows
Computer skills Medium
Version 11.4.12
Stability Stable
Maintained Yes


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  • person_outline Marc Nicklaus <>

Additional information

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Publications for Prediction of Activity Spectra for Substances

PASS institution(s)
Laboratory of Structure-Function Based Drug Design, V.N. Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, Moscow, Russia; Computer Chemistry Center and Institute for Organic Chemistry, University of Erlangen-Nurnberg, Erlangen, Germany; Laboratory of Medicinal Chemistry, Center for Cancer Research, National Cancer Institute, National Institutes of Health, NCI-Frederick, Frederick, MD, USA
PASS funding source(s)
Supported by the U.S. Civil Research and Development Foundation (Grant # RC1-2064).

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