Chemoinformatics: past, present, and future.
The history of chemoinformatics is reviewed in a decade-by-decade manner from the 1940s to the present. The focus is placed on four traditional research areas: chemical database systems, computer-assisted structure elucidation systems, computer-assisted synthesis design systems, and 3D structure builders. Considering the fact that computer technology has been one of the major driving forces of the development of chemoinformatics, each section will start from a brief description of the new advances in computer technology of each decade. The summary and future prospects are given in the last section.
Chen
William Lingran
WL
Elsevier MDL, 2440 Camino Ramon, Suite 300, San Ramon, California 94583, USA. L.Chen@mdl.com
D000465:Algorithms; D002626:Chemistry, Pharmaceutical / Q000266:history / Q000379:methods* / Q000639:trends; D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D016208:Databases, Factual; D049673:History, 20th Century; D048088:Informatics / Q000379:methods*