I am posting this message at the request of Bryan Vickery bryan.vickery@chemweb.com Dear Colleague, Division of Chemical Information (CINF) of the American Chemical Society (ACS) and the Chemical Structure Association (CSA). ACS National Meeting, Orlando - April 7-11, 2002. ___________________________________________________________________ Molecular Descriptors for Diversity Analysis, Library Design and Virtual Screening Many methods have been devised to study the similarity, or dissimilarity, of compounds; to predict physicochemical properties; to identify compounds with desirable or "drug-like" properties; and to select activity-enriched sets of molecules from "virtual" libraries (i.e., from large numbers of synthetically feasible compounds). At the root of all these methods are descriptors used to characterize the molecules. These include various types of molecular fingerprints, 3D pharmacophores, physicochemical properties, electrotopological states and connectivity indices. Some represent 2D molecules; some handle 3D ones. Some are "meaningful" to medicinal chemists; some are not. This symposium will examine the nature of such descriptors and the extent to which they have been successfully implemented. ___________________________________________________________________ Abstracts should be submitted via the OASys: ACS Online Abstract Submittal System. http://oasys.acs.org/acs/223nm/cinf/papers/index.cgi The deadline has been extended into early November 2001 but do not delay. Full instructions are given at the ACS site, but you should select the option for "Chemical Descriptors" Then follow the instructions for adding title, authors and text. If you have any questions about this session please do not hesitate to contact me, Regards, Bryan Bryan Vickery Commercial Director ChemWeb, Inc. 84 Theobalds Road London, WC1X 8RR United Kingdom E: bryan.vickery@chemweb.com T: + 44 (0)20 7611 4424 F: + 44 (0)20 7611 4301 W: www.chemweb.com Dr. Wendy A. Warr Wendy Warr & Associates, 6 Berwick Court Holmes Chapel, Cheshire, CW4 7HZ, England Tel/fax +44 (0) 1477 533837 wendy@warr.com http://www.warr.com