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Science: Chemistry: Computational
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Science: Chemistry: Software
Science: Chemistry: Software: Educational
Science: Chemistry: Software: Structural
Automatic Organic Chemical Reactions
- A program based on a mathematical representation of organic synthesis that generates all products of a synthesis on an input of organic compounds.
- Provides software to view and predict 3D molecular structure and properties and to analyze the relationship between structure and properties or structure and reactivity. CAChe is a tool for medicinal, polymer, process and synthetic chemists.
- An open source project to create an IUPAC nomenclature parser.
- Detailed description about the inner workings of LHASA from the Centre for Molecular and Biomolecular Informatics.
- Software company for chemoinformatics that specializes in storage and handling of chemical structure and reaction information
LabJ: Electronic Laboratory Notebook
- Assists in planning chemical reactions and stores chemical information.
Organic Synthesis Exploration Tool
- Free software for computer-assisted organic synthesis, intended mainly for use in education. Applet-based. Source code available.
TORVS Research Team
- Software for reaction prediction, synthesis design, classification of organic reactions, chemical information, calculation of 3D coordinates, and calculation of physicochemical parameters.
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