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Open3DQSAR 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 286
Filesize 1.01 MB
Requirements
Installation Instal And Uninstall
Keywords chemometric analysis, analyze MIF, pharmacophore exploration, MIF, analysis, chemometry
Users' rating
(5 rating)
Open3DQSARCADWindows XP, Windows Vista, Windows 7
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... variable selection and data scrambling procedures, etc. High computational performance is attained through implementation of parallelized algorithms ... validation, variable selection. FEATURES: · Multi-threaded computation of MIFs (both MM and QM); support for ...

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... variable selection and data scrambling procedures, etc. High computational performance is attained through implementation of parallelized algorithms ... validation, variable selection. FEATURES: · Multi-threaded computation of MIFs (both MM and QM); support for ...