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.

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