PASS specifications

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

versioning

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PASS support

Documentation

Maintainer

  • Marc Nicklaus <>

Additional information

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Credits

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Publications

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

Funding source(s)

Supported by the U.S. Civil Research and Development Foundation (Grant # RC1-2064).

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