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Volumn 11, Issue C, 1988, Pages 630-634

A characterization of molecular similarity methods for property prediction

Author keywords

chemical description space; Molecular similarity; nearest neighbor prediction; property prediction; response surfaces

Indexed keywords


EID: 0000247432     PISSN: 08957177     EISSN: None     Source Type: Journal    
DOI: 10.1016/0895-7177(88)90569-9     Document Type: Article
Times cited : (58)

References (24)
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    • (1975) J. Chem. Inf. Comput. Sci. , vol.15 , pp. 55-58
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  • 6
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    • Distance geometry approach to rationalizing binding data
    • (1979) J. Med. Chem. , vol.22 , pp. 988-997
    • Crippen1
  • 7
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    • Relationships between chemical structure and biological activity modeled by SIMCA pattern recognition
    • (1980) Bioorganic Chem. , vol.9 , pp. 505-523
    • Dunn1    Wold2
  • 11
    • 33847086085 scopus 로고
    • A QSAR investigation of dihydrofolate reductase inhibition by Baker triazines based upon molecular shape analysis
    • (1980) J. Amer. Chem. Soc. , vol.102 , pp. 7196-7206
    • Hopfinger1
  • 24
    • 33746132663 scopus 로고
    • Implementation of nonhierarchic cluster analysis methods in chemical information systems: selection of compounds for biological testing and clustering of substructure search output
    • (1986) J. Chem. Inf. Comput. Sci. , vol.26 , pp. 109-118
    • Willett1    Winterman2    Bawden3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.