Added: September 04, 2013 | Visits: 475
In this submission we present the code of the Replacement Method (RM) [1-4] and Enhanced Replacement Method (ERM)[5], that were proposed some time ago by our group. Both methods produce linear regression QSPR-QSAR models that are quite close the FS (full search) ones with much less computational...
Platforms: Matlab
Released: April 10, 2005
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Added: March 12, 2006 | Visits: 3.270
ChemDBsoft is chemical database software for management of databases of any size. Includes: free structure drawer, simple data views, searches by structure and substructure, multiple database searches, SDF import/export, duplicate removal, database comparison, chemical web server. Calculation and...
Platforms: Windows
Added: September 02, 2013 | Visits: 338
Features 1. Automatically detects descriptor classes defined in the CDK QSAR descriptor dictionary 2. Groups of descriptors and individual descriptors can be selected for evaluation 3. Input can be SDF or SMI formats 4. Output can be a variety of delimited text formats, annotated SDF or ARFF...
Platforms: Mac
Released: June 01, 2012
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Added: June 01, 2012 | Visits: 460
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...
Platforms: Windows
Released: August 06, 2012
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Added: August 06, 2012 | Visits: 479
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...
Platforms: Mac
Released: October 24, 2012
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Added: October 24, 2012 | Visits: 481
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...
Platforms: Linux
Released: November 16, 2012
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Added: November 16, 2012 | Visits: 459
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...
Platforms: Windows
Released: November 12, 2012
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Added: November 12, 2012 | Visits: 736
KnowledgeMiner (yX) for Excel - High-end Knowledge and Data Mining for Everybody.
Simple, objective, fast. Develop reliable predictive models in only two steps.
You know about the value of your data? Find unknown relevant relationships in your scientific, business or personal data easily by...
Platforms: Mac
Released: August 21, 2012
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Added: August 21, 2012 | Visits: 1.376
KnowledgeMiner (yX) for Excel Free – Entry-Level Knowledge and Data Mining for Everybody.
Simple, objective, fast. Develop reliable predictive models in only two steps.
You know about the value of your data? Find unknown relevant relationships in your scientific, business or personal data...
Platforms: Mac
Windows Software
Albina Merfyn - I find this to be really easy to use. I can...
