コンピュータ・ケミストリのシステム化について

抄録

The most important challenge in the fine chemicals field is to find a method to develop efficiently the compounds that have desired medical effects and biological activity.
In order to solve this problem, the utilization of computers has been studied for about a decade.
Sumitomo Chemical Co., Ltd. and Nippon Electric Co., Ltd. are now co-developing a new computer system for drug design.
The article introduces the system which is called ACACS.
The main features of ACACS system are as follows.
1) Computer-chemistry integrated system.
2) Storage and retrieve of chemical structures by means of a graphic terminal.
3) Numerous Japanese language functions.
4) Stereographic display by means of a three dimensional graphic terminal.
5) Capable of handling of wide range of compounds.
6) Powerful data base.
7) Extremely extensible and maintainable.
ACACS is a TSS system which consists of the following four subsystems.
1) Information management subsystem on chemical structure and biological activity.
2) Molecular modeling subsystem.
3) Three dimensional display subsystem.
4) Analysis subsystem.