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Top/Science/Chemistry/Organic/Software |
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Software : |
Software which is specific for Organic Chemistry. This includes:- Synthesis design.
- Reaction prediction and mechanisms.
- Organic nomenclature.
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12 web sites matced for Software |
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SynGen
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A program for automatic synthesis generation which focuses on the shortest, most economical routes. Uses a generalized model of organic reactions and functionality to simplify the problem space. Macintosh beta version available for download.
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LHASA Group at Harvard University
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LHASA (Logic and Heuristics Applied to Synthetic Analysis) is among the first programs for retrosynthetic analysis. Also on this page, the DEREK system for toxicology prediction. Available for Silicon Graphics/Irix, and Linux.
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CAChe Group
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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.
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Automatic Organic Chemical Reactions
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A program based on a mathematical representation of organic synthesis that generates all products of a synthesis on an input of organic compounds.
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TORVS Research Team
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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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Expereact : Electronic Laboratory Notebook
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Laboratory management program that includes functions for stock keeping, a laboratory notebook, and search tools for products or reactions records. User guide, screen shots, and demo available.
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Building the Shortest Synthesis Route
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This article, published in CHEMTECH in 1998, is a nice introduction to the field of Computer-Assisted Organic Synthesis.
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Afferent
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Tools for tracking the information associated with combinatorial libraries and parallel medicinal chemistry syntheses.
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Systematichem
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Computational organic chemistry software for retrosynthesis and synthesis development.
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Organic Synthesis Exploration Tool
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Free software for computer-assisted organic synthesis, intended mainly for use in education. Applet-based. Source code available.
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ChemNomParse Project
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An open source project to create an IUPAC nomenclature parser.
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CMBI: LHASA
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Detailed description about the inner workings of LHASA from the Centre for Molecular and Biomolecular Informatics.
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