pharmacophore free download

Showing 4 open source projects for "pharmacophore"

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1

Pharmer

Fast and efficient 3D pharmacophore search developed by the Camacho Lab (http://smoothdock.ccbb.pitt.edu) at the University of Pittsburgh. Source code is available through the svn repository.

1 Review

Downloads: 1 This Week

Last Update: 2021-03-08
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2

Open3DQSAR

Open3DQSAR is a free, open-source tool written in C aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs).

1 Review

Downloads: 19 This Week

Last Update: 2018-02-28
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3

QSAR Qualitative Validation

Qualitative validation of QSAR models

The purpose of this program is to verify the ability of the QSAR/Pharmacophore model to distinguish significantly between the two classes (i.e. active and inactive molecules). It is based on calculation of different qualitative validation parameters such as sensitivity, specificity, precision, accuracy, and F-measure.

Downloads: 0 This Week

Last Update: 2013-08-26
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4

Chemical Descriptors Library (CDL)

CDL provides a generic C++ framework to write algorithms for the calculation of molecular descriptors. CDL provides efficient substructure search, fingerprints and pharmacophore algorithms, and many more for the calculation molecular descriptors.

Downloads: 0 This Week

Last Update: 2013-03-22
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