SUBSTRUCTURE SEARCH-SYSTEMS .1. PERFORMANCE COMPARISON OF THE MACCS, DARC, HTSS, CAS REGISTRY MVSSS, AND S4 SUBSTRUCTURE SEARCH-SYSTEMS

被引:25
作者
HICKS, MG
JOCHUM, C
机构
[1] Beilstein Institute, 6000 Frankfurt 90
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1990年 / 30卷 / 02期
关键词
D O I
10.1021/ci00066a018
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A comparison of the performance of the substructure search systems MACCS, DARC, HTSS, and S4 has been carried out in-house at the Beilstein Institute, and that of the CAS Registry MVSSS system on STN International at FIZ Karlsruhe was carried out online. Included in the comparison were the hit sets, screening efficiency, task times, and elapse times. The results showed that all systems gave similar results in terms of retrieved hit sets, but S4 dramatically out-performed the other systems in terms of task and elapse times. A subsequent test of S4 with a very much larger file showed the search time/file size relationship to be very much less than linear. © 1990, American Chemical Society. All rights reserved.
引用
收藏
页码:191 / 199
页数:9
相关论文
共 19 条
[1]  
Ahrens EKF., 1988, CHEM STRUCTURES, V1, P97, DOI [10.1016/0898-5529(90)90164-4, DOI 10.1016/0898-5529(90)90164-4]
[2]  
ASH JE, 1985, COMMUNICATION STORAG
[3]   DARC SUBSTRUCTURE SEARCH SYSTEM - A NEW APPROACH TO CHEMICAL INFORMATION [J].
ATTIAS, R .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1983, 23 (03) :102-108
[4]  
BARNARD JM, 1988, CHEM STRUCTURES INT, P113
[5]   THE CAS ONLINE SEARCH SYSTEM .1. GENERAL SYSTEM-DESIGN AND SELECTION, GENERATION, AND USE OF SEARCH SCREENS [J].
DITTMAR, PG ;
FARMER, NA ;
FISANICK, W ;
HAINES, RC ;
MOCKUS, J .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1983, 23 (03) :93-102
[6]   DARC SYSTEM - NOTIONS OF DEFINED AND GENERIC SUBSTRUCTURES - FILIATION AND CODING OF FREL SUBSTRUCTURE (SS) CLASSES [J].
DUBOIS, JE ;
PANAYE, A ;
ATTIAS, R .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1987, 27 (02) :74-82
[7]  
FARMER N, 1988, CHEM STRUCTURES INT, P283
[8]   THE 3RD BASIC FRAGMENT SEARCH DICTIONARY [J].
GRAF, W ;
KAINDL, HK ;
KNIESS, H ;
WARSZAWSKI, R .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1982, 22 (04) :177-181
[9]  
HICKS MG, IN PRESS ANAL CHIM A
[10]  
Lynch M. F, 1974, CHEM INFORMATION SYS, P177