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Open3DQSAR x64 2.24

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Open3DQSAR x64 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 260
Filesize 1.20 MB
Requirements
Installation Instal And Uninstall
Keywords x64 analysis, x64
Users' rating
(4 rating)
Open3DQSAR x64CADWindows Vista x64, Windows 7 x64, Windows 8 x64
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... generate and challenge the predictivity of many 3D-QSAR models using different training/test set combinations, superposition schemes, variable ... implementation of parallelized algorithms for MIF generation, PLS model building and validation, variable selection. FEATURES: ...

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