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Open3DQSAR for Linux 2.24

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Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA/CoMSIA fields (exported from SYBYL with the aid of a small SPL script). ...

Author Paolo Tosco
License Open Source
Price FREE
Released 2013-06-20
Downloads 285
Filesize 1.40 MB
Requirements
Installation Instal And Uninstall
Keywords chemometric analysis, analyze MIF, pharmacophore exploration, MIF, analysis, chemometry
Users' rating
(2 rating)
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Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis ... training/test set combinations, superposition schemes, variable selection and data scrambling procedures, etc. High computational performance is attained ... molecular structures · Comprehensive output, including SDF molecular databases, 3D maps and many different plots to ease ...

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Open3DQSAR x64 is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis ... training/test set combinations, superposition schemes, variable selection and data scrambling procedures, etc. High computational performance is attained ...

Open3DQSAR for Linux

2.24 download

Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis ... training/test set combinations, superposition schemes, variable selection and data scrambling procedures, etc. High computational performance is attained ... molecular structures · Comprehensive output, including SDF molecular databases, 3D maps and many different plots to ease ...

Open3DQSAR for Mac OS X

2.24 download

Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis ... training/test set combinations, superposition schemes, variable selection and data scrambling procedures, etc. High computational performance is attained ... molecular structures · Comprehensive output, including SDF molecular databases, 3D maps and many different plots to ease ...