| TORVS Research Team Software for reaction prediction, synthesis design, classification of organic reactions, chemical information, calculation of 3D coordinates, and calculation of physicochemical parameters. | |
| Systematichem Computational organic chemistry software for retrosynthesis and synthesis development. | |
| SynGen 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. | |
| Organic Synthesis Exploration Tool Free software for computer-assisted organic synthesis, intended mainly for use in education. Applet-based. Source code available. | |
| LHASA Group at Harvard University 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. | |
| Expereact : Electronic Laboratory Notebook 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. | |
| CMBI: LHASA Detailed description about the inner workings of LHASA from the Centre for Molecular and Biomolecular Informatics. | |
| ChemNomParse Project An open source project to create an IUPAC nomenclature parser. | |
| CAChe Group 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. | |
| Building the Shortest Synthesis Route This article, published in CHEMTECH in 1998, is a nice introduction to the field of Computer-Assisted Organic Synthesis. | |
| 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. | |
| Afferent Tools for tracking the information associated with combinatorial libraries and parallel medicinal chemistry syntheses. | |
| Zang Group Synthetic organic, inorganic and organometallic chemistry, transition metal catalyzed asymmetric reactions for the synthesis of biologically active compounds, biomimetic chemistry, molecular recognition and material chemistry. | |
| Yamamoto Group Lewis and Brønsted acid catalysts of super reactivity and selectivity for various organic transformations (Designer Acid Catalysis) | |
| Würthner Group Dye assemblies and materials: supramolecular dye chemistry and electrooptic materials. | |
| Wood Group Total synthesis. | |
| Wong Group Development of new chemical and enzymatic strategies and methods for the synthesis of biologically active compounds and designed molecules as mechanistic probes and inhibitors of carbohydrate-mediated biological recognitions, sequence-specific RNA recogni | |
| Woerpel Group Development of new stereoselective carbon-carbon bond-forming processes and employing these methods in organic synthesis | |
| Williams Research Group DNA-reactive anti-tumor natural products. Total synthesis and biosynthesis of natural products. Development of methodology and new strategies to treat drug-resistant bacteria. | |
| Welch Group Flourine chemistry, fluoroolefin peptidomimetics, precursor design for the chemical vapor deposition of metals, catalyst systems for the syndiotactic polymerization of styrene, pyrazinamide, analogs and the mechanism of action of an antituberculous agent. | |
