THE CALCULATION OF INTERMOLECULAR SIMILARITY COEFFICIENTS USING AN INVERTED FILE ALGORITHM

被引:10
作者
WILLETT, P
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D O I
10.1016/S0003-2670(01)85318-6
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
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页码:339 / 342
页数:4
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共 11 条
[1]   ANALYSIS OF STRUCTURAL CHARACTERISTICS OF CHEMICAL COMPOUNDS IN A LARGE COMPUTER-BASED FILE .2. ATOM-CENTRED FRAGMENTS [J].
ADAMSON, GW ;
LYNCH, MF ;
TOWN, WG .
JOURNAL OF THE CHEMICAL SOCIETY C-ORGANIC, 1971, (22) :3702-&
[2]   METHOD FOR AUTOMATIC CLASSIFICATION OF CHEMICAL STRUCTURES [J].
ADAMSON, GW ;
BUSH, JA .
INFORMATION STORAGE AND RETRIEVAL, 1973, 9 (10) :561-568
[3]   COMPARISON OF PERFORMANCE OF SOME SIMILARITY AND DISSIMILARITY MEASURES IN AUTOMATIC CLASSIFICATION OF CHEMICAL STRUCTURES [J].
ADAMSON, GW ;
BUSH, JA .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1975, 15 (01) :55-58
[4]   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
[5]  
Hartigan JA., 1975, CLUSTERING ALGORITHM
[6]   K-NEAREST NEIGHBOR CLASSIFICATION RULE (PATTERN-RECOGNITION) APPLIED TO NUCLEAR MAGNETIC-RESONANCE SPECTRAL INTERPRETATION [J].
KOWALSKI, BR ;
BENDER, CF .
ANALYTICAL CHEMISTRY, 1972, 44 (08) :1405-&
[7]  
Spath H, 1980, CLUSTER ANAL ALGORIT
[8]   ALGORITHM FOR INFORMATION STRUCTURING AND RETRIEVAL [J].
VANRIJSBERGEN, CJ .
COMPUTER JOURNAL, 1971, 14 (04) :407-+