Structure searching concepts at chemical abstract service: Past, present, and future (?)

CINF 23

W. Fisanick, wfisanick@cas.org, Research, Chemical Abstract Service, 2540 Olentangy River Road, P. O. Box 3012, Columbus, OH 43210, Karen Lucas, klucas@cas.org, Online Services, Chemical Abstract Service, 2540 Olentangy River Road, P. O. Box 3012, Columbus, OH 43210, and Tommy Ebe, tebe@cas.org, Database Quality Engineering, Chemical Abstracts Service, 2540 Olentangy River Rd, Columbus, OH 43202-1505.
Since the advent of the Chemical Registry in 1965, Chemical Abstracts Service (CAS) has developed and used a variety of approaches and techniques relative to the searching of structures for chemical substances. Included are capabilities for exact, substructure, structure similarity, and Markush structure searching. Important components of these search capabilities are the families of structural search fragments and the system architecture. In addition, CAS continues to explore new and modified structure search techniques. The focus of this paper will be on the key concepts and algorithms for structure searching developed at CAS.

 

Challenges in Structure Searching
8:00 AM-11:45 AM, Monday, 11 September 2006 Moscone Center -- Room 122, Oral

Division of Chemical Information

The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006