Recursive Partitioning for QSAR with ChemTree Drug Discovery Software

Overview

ChemTree software is the fastest and most advanced recursive partitioning (RP) software for Chemoinformatics on the market today. ChemTree enables the understanding of quantitative structure activity relationships (QSARs). Since 1995, two members of our team, Stan Young and Christophe Lambert, have been pioneers in applying recursive partitioning to analyzing screening data. We have derived a number of innovative techniques to squeeze the most out of your screening data. This includes some novel approaches to directly identifying structural classes that bind according to the same mechanism, as well as highlighting the "business end" of the molecule to assist medicinal chemists in deciding on possible modifications to the compound. A few good places to learn more about applications of recursive partitioning to cheminformatics problems are our pages on sequential screening, the ChemTree product page, and our pages on assay development and low throughput screening, high throughput screening, and lead optimization.