WEBCHEM-JSM: an information environment for implementation of the JSM method in pharmacology

Intelligent Systems

Abstract

WebChem-JSM is a software system that is an information environment for application of the JSM method in the discovery of structure–activity relationships in pharmacology and related fields. A client–server architecture based on web technology is proposed to solve tasks. Compared to past solutions of this problem, centralized storage of data and knowledge together with the ability to accumulate knowledge are attained. The modular architecture of the system provides rich capabilities for deploying various versions of the components, for comparative study of solvers and strategies of JSM method. For the first time, a parallel JSM solver is used in an intellectual JSM system to achieve greater performance.

Keywords

JSM method information environment web interface FCSS descriptors biological activity 

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Copyright information

© Allerton Press, Inc. 2015

Authors and Affiliations

  1. 1.All-Russia Institute of Scientific and Technical informationRussian Academy of SciencesMoscowRussia

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