CHEMICAL ABSTRACTS SERVICE CHEMICAL REGISTRY SYSTEM .13. ENHANCED HANDLING OF STEREOCHEMISTRY

被引：11

作者：

BLACKWOOD, JE ^{[1
]}

BLOWER, PE ^{[1
]}

LAYTEN, SW ^{[1
]}

LILLIE, DH ^{[1
]}

LIPKUS, AH ^{[1
]}

PEER, JP ^{[1
]}

QIAN, C ^{[1
]}

STAGGENBORG, LM ^{[1
]}

WATSON, CE ^{[1
]}

机构：

[1] CHEM ABSTRACTS SERV INC,COLUMBUS,OH 43210

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1991年 / 31卷 / 02期

关键词：

D O I：

10.1021/ci00002a005

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

CAS registers stereoisomers using text descriptors related to the stereochemical descriptors of the corresponding chemical names. This system works well for the unique registration of stereoisomers, but it is difficult to relate the text descriptor to the atoms and bonds of the Registry connection table. This limits its usefulness for substructure search or display of stereochemistry in the structure diagram. CAS is currently augmenting the Registry connection table with atom/bond-specific stereodescriptors. This article focuses on two aspects of this work: the representation of stereochemistry in the connection table and techniques for converting the Registry structure file to the stereoaugmented format.

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页码：204 / 212

页数：9

相关论文

共 24 条

[1] CHEMICAL-ABSTRACTS-SERVICE-CHEMICAL-REGISTRY-SYSTEM .3. STEREOCHEMISTRY [J].

BLACKWOOD, JE ;

ELLIOTT, PM ;

STOBAUGH, RE ;

WATSON, CE .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1977, 17 (01) :3-8

[2] CHEMICAL ABSTRACTS STEREOCHEMICAL NOMENCLATURE OF ORGANIC-SUBSTANCES IN NINTH COLLECTIVE PERIOD (1972-1976) [J].

BLACKWOOD, JE ;

GILES, PM .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1975, 15 (02) :67-72

[3] STEREOCHEMICAL NOTATION IN COORDINATION CHEMISTRY - MONONUCLEAR COMPLEXES [J].

BROWN, MF ;

COOK, BR ;

SLOAN, TE .

INORGANIC CHEMISTRY, 1975, 14 (06) :1273-1278

[4] SPECIFICATION OF MOLECULAR CHIRALITY [J].

CAHN, RS ;

INGOLD, C ;

PRELOG, V .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1966, 5 (04) :385-&

[5] COMPUTER DESIGN OF SYNTHESIS IN PHOSPHORUS CHEMISTRY - AUTOMATIC TREATMENT OF STEREOCHEMISTRY [J].

CHOPLIN, F ;

MARC, R ;

KAUFMANN, G ;

WIPKE, WT .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1978, 18 (02) :110-118

[6] CHEMICAL ABSTRACTS SERVICE CHEMICAL REGISTRY SYSTEM .1. GENERAL DESIGN [J].

DITTMAR, PG ;

STOBAUGH, RE ;

WATSON, CE .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1976, 16 (02) :111-121

[7] CHEMICAL ABSTRACTS SERVICE CHEMICAL REGISTRY SYSTEM .2. AUGMENTED CONNECTIVITY MOLECULAR FORMULA [J].

FREELAND, RG ;

FUNK, SA ;

OKORN, LJ ;

WILSON, GA .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1979, 19 (02) :94-98

[8] CHEMICAL-ABSTRACTS-SERVICE CHEMICAL REGISTRY SYSTEM .10. REGISTRATION OF SUBSTANCES FROM PRE-1965 INDEXES OF CHEMICAL ABSTRACTS [J].

HAMILL, KA ;

NELSON, RD ;

VANDERSTOUW, GG ;

STOBAUGH, RE .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1988, 28 (04) :175-179

[9]

LIPKUS AH, 1990, 2ND INT M CHEM STRUC

[10] CHEMICAL-ABSTRACTS-SERVICE CHEMICAL REGISTRY SYSTEM .7. TAUTOMERISM AND ALTERNATING BONDS [J].

MOCKUS, J ;

STOBAUGH, RE .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1980, 20 (01) :18-22