NATIONAL-CANCER-INSTITUTE DRUG INFORMATION-SYSTEM 3D DATABASE

被引：123

作者：

MILNE, GWA ^{[1
]}

NICKLAUS, MC ^{[1
]}

DRISCOLL, JS ^{[1
]}

WANG, SM ^{[1
]}

ZAHAREVITZ, D ^{[1
]}

机构：

[1] NCI,DIV CANC TREATMENT,MED CHEM LAB,BETHESDA,MD 20892

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1994年 / 34卷 / 05期

关键词：

D O I：

10.1021/ci00021a032

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A searchable database of three-dimensional structures has been developed from the chemistry database of the NCI Drug Information System (DIS), a file of about 450 000 primarily organic compounds which have been tested by NCI for anticancer activity. The DIS database is very similar in size and content to the proprietary databases used in the pharmaceutical industry; its development began in the 1950s; and this history led to a number of problems in the generation of 3D structures.

引用

页码：1219 / 1224

页数：6

共 43 条

[21] JORGENSEN WL, 1991, SCIENCE, V254, P854
[22] AUTOMATED CONFORMATIONAL-ANALYSIS - ALGORITHMS FOR THE EFFICIENT CONSTRUCTION OF LOW-ENERGY CONFORMATIONS
LEACH, AR
PROUT, K
DOLATA, DP
[J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1990, 4 (03) : 271 - 282
[23] THE NCI DRUG INFORMATION-SYSTEM .1. SYSTEM OVERVIEW
MILNE, GWA
MILLER, JA
[J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1986, 26 (04): : 154 - 159
[24] THE NCI DRUG INFORMATION-SYSTEM .2. DIS PRE-REGISTRY
MILNE, GWA
FELDMAN, A
MILLER, JA
DALY, GP
HAMMEL, MJ
[J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1986, 26 (04): : 159 - 168
[25] THE NCI DRUG INFORMATION-SYSTEM .3. THE DIS CHEMISTRY MODULE
MILNE, GWA
FELDMAN, A
MILLER, JA
DALY, GP
[J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1986, 26 (04): : 168 - 179
[26] THE NCI DRUG INFORMATION-SYSTEM .4. INVENTORY AND SHIPPING MODULES
MILNE, GWA
MILLER, JA
HOOVER, JR
[J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1986, 26 (04): : 179 - 185
[27] CONFORMATIONAL SEARCHING IN ISIS/3D DATABASES
MOOCK, TE
HENRY, DR
OZKABAK, AG
ALAMGIR, M
[J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1994, 34 (01): : 184 - 189
[28] CONFORMATIONAL FREEDOM IN 3-D DATABASES .1. TECHNIQUES
MURRALL, NW
DAVIES, EK
[J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1990, 30 (03): : 312 - 316
[29] NICKLAUS MC, UNPUB J MED CHEM
[30] THE ROLE OF PROTEIN KINASE-C IN CELL-SURFACE SIGNAL TRANSDUCTION AND TUMOR PROMOTION
NISHIZUKA, Y
[J]. NATURE, 1984, 308 (5961) : 693 - 698

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