Semichem, Inc. — Providers of Solutions for Computational Chemistry
Quantitative Structure/Activity Relationships (QSAR)
CODESSA™ is an advanced, fully featured Quantitative Structure/Activity Relationship (QSAR) program that ties information from AMPAC™ and other Quantum Mechanics programs with experimental data. Together these programs allow researchers to answer the questions that are important to their efforts, whether they be academic or commercial. A number of papers have already been published showing the efficacy of CODESSA™ and AMPAC™ in predicting such macroscopic chemical properties as gas chromatography retention indices, polymer glass transition temperatures, critical micelle concentration, toxicity, boiling/melting points, and flash points. CODESSA™ is the result of a joint effort between Semichem and Professors Alan Katritzky (U. of Florida) and Mati Karelson (U. of Tartu, Estonia).
