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Downloadable Freeware

1 OSRA – optical structure recognition 
2 Diversity/similarity measure based on Hasse matrices
3 logP, water solubility and pKa(s)
4 Molecular Structure Formats Interconversion
5 DRAGON molecular descriptors
6 Partial Least Squares Regression
7 ChemDB/Smi2Depict: Generate 2D Images from Molecule Files
8 ChemDB/Babel: Molecule Format Converter
9 ChemDB/MolInfo: Calculate Assorted Information for a Molecule
10 ChemDB/PatternMatchCounter: Counts Functional Groups
11 ChemDB/PatternCountScreen: Screens by Functional Groups
12 JME Molecular Editor
13 Computational Chemistry List, Ltd. Software Archive
14 Chemistry Development Kit (CDK) - a Java library for bio- and chemoInformatics and computational chemistry. It is the basis of other projects like JChemPaint, Jmol, SENECA and NMRShiftDB.
15 Bioinformatics & Drug Design group [BIDD] - MODEL - Molecular Descriptor Lab for Computing structural and physichemical properties of molecules from their 3D structures.
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16 Bioinformatics & Drug Design [BIDD] Group's - MODEL (Molecular Descriptor Lab) for Computing structural and physichemical properties of molecules from their 3D structures.
Get related paper
17 PowerMV: Software environment for statistical analysis, molecular viewing, descriptor generation and similarity search from NISS.
18 PASS (Prediction of Activity Spectra for Substances) supported by the Russian Foundation for Basic Research
19 Jmol - An open-source Java viewer for three-dimensional molecular structures
20 Molinspiration - allows drawing molecules and calculating their properties or prediction of their Bioactivity
21 Open Babel: The Open Source Chemistry Toolbox
22 Molecular Descriptors related online programs
23 World Index of Molecular Visualization Resources
24 ChemFile Browser
25 CAESAR Project
26 DEMETRA Project
27 ScreeningAssistant - software to manage chemical databases from University of Orleans
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