mySQL db app that stores chemical structures, calc. descriptors and property values. It has a descriptor calculator and a method that filters descriptors correlated with property values. Easy to plug-in your descriptor calc. Ideal for QSAR specialists!

Project Activity

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Categories

Molecular Science, Chemistry, Bio-Informatics, Intelligent Agents

License

GNU General Public License version 2.0 (GPLv2)

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Additional Project Details

Operating Systems

Linux

Intended Audience

Science/Research, Advanced End Users, Developers

User Interface

Command-line

Programming Language

Perl, C++

Database Environment

MySQL

Related Categories

Perl Molecular Science Software, Perl Chemistry Software, Perl Bio-Informatics Software, Perl Intelligent Agents, C++ Molecular Science Software, C++ Chemistry Software, C++ Bio-Informatics Software, C++ Intelligent Agents

Registered

2006-05-16
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