| 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.
Get related paper
|
| 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.
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| 18 |
PASS (Prediction of Activity Spectra for Substances) supported by the Russian Foundation for Basic Research
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| 19 |
Jmol - An open-source Java viewer for three-dimensional molecular structures
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| 20 |
Molinspiration - allows drawing molecules and calculating their properties or prediction of their Bioactivity
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| 21 |
Open Babel: The Open Source Chemistry Toolbox
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| 22 |
Molecular Descriptors related online programs
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| 23 |
World Index of Molecular Visualization Resources
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| 24 |
ChemFile Browser
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| 25 |
CAESAR Project
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| 26 |
DEMETRA Project
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| 27 |
ScreeningAssistant
- software to manage chemical databases from University of Orleans
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