A COMPARISON OF SOME HIERARCHAL MONOTHETIC DIVISIVE CLUSTERING ALGORITHMS FOR STRUCTURE PROPERTY CORRELATION

被引：10

作者：

RUBIN, V

WILLETT, P

机构：

来源：

ANALYTICA CHIMICA ACTA | 1983年 / 151卷 / 01期

关键词：

D O I：

10.1016/S0003-2670(00)80072-0

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

引用

页码：161 / 166

页数：6

共 28 条

[1] METHOD FOR AUTOMATIC CLASSIFICATION OF CHEMICAL STRUCTURES [J].

ADAMSON, GW ;

BUSH, JA .

INFORMATION STORAGE AND RETRIEVAL, 1973, 9 (10) :561-568

[2] COMPARISON OF HIERARCHICAL CLUSTER-ANALYSIS TECHNIQUES FOR AUTOMATIC CLASSIFICATION OF CHEMICAL STRUCTURES [J].

ADAMSON, GW ;

BAWDEN, D .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1981, 21 (04) :204-209

[3] AUTOMATED ADDITIVE MODELING TECHNIQUES APPLIED TO THERMOCHEMICAL PROPERTY ESTIMATION [J].

ADAMSON, GW ;

BAWDEN, D .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1980, 20 (04) :242-246

[4] ACTION OF ANESTHETICS ON EXCITABLE MEMBRANES - A QUANTUM-CHEMICAL ANALYSIS [J].

AGIN, D ;

HERSH, L ;

HOLTZMAN, D .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1965, 53 (05) :952-&

[5] CORRELATION OF SERUM BINDING OF PENICILLINS WITH PARTITION COEFFICIENTS [J].

BIRD, AE ;

MARSHALL, AC .

BIOCHEMICAL PHARMACOLOGY, 1967, 16 (12) :2275-&

[6] MULTIVARIATE-ANALYSIS AND QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS - INHIBITION OF DIHYDROFOLATE-REDUCTASE AND THYMIDYLATE SYNTHETASE BY QUINAZOLINES [J].

CHEN, BK ;

HORVATH, C ;

BERTINO, JR .

JOURNAL OF MEDICINAL CHEMISTRY, 1979, 22 (05) :483-491

[7] APPLICATIONS OF ARTIFICIAL INTELLIGENCE TO CHEMISTRY - USE OF PATTERN-RECOGNITION AND CLUSTER-ANALYSIS TO DETERMINE PHARMACOLOGICAL ACTIVITY OF SOME ORGANIC COMPOUNDS [J].

CHU, KC .

ANALYTICAL CHEMISTRY, 1974, 46 (09) :1181-1187

[8]

CLIFFORD H. T., 1975, INTRO NUMERICAL CLAS

[9] A RAPID MULTIVARIATE METHOD FOR DETECTION AND CLASSIFICATION OF GROUPS OF ECOLOGICALLY RELATED SPECIES [J].

CRAWFORD, RM ;

WISHART, D .

JOURNAL OF ECOLOGY, 1967, 55 (02) :505-&

[10] CLUSTERING LARGE FILES OF DOCUMENTS USING SINGLE-LINK METHOD [J].

CROFT, WB .

JOURNAL OF THE AMERICAN SOCIETY FOR INFORMATION SCIENCE, 1977, 28 (06) :341-344

← 1 2 3 →