ChemCpp is a C++ toolbox for chemoinformatics focusing on the computation of kernel functions between chemical compounds. Together with Support Vector Machines, these kernel functions find natural applications for virtual screening of molecules.

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Categories

Chemistry, Bio-Informatics, Mathematics

License

GNU Library or Lesser General Public License version 2.0 (LGPLv2)

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Additional Project Details

Operating Systems

Linux, BSD

Intended Audience

Science/Research

User Interface

Console/Terminal

Programming Language

C++

Related Categories

C++ Chemistry Software, C++ Bio-Informatics Software, C++ Mathematics Software

Registered

2006-03-22
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