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Volumn 53, Issue 7, 2013, Pages 1602-1612

Conditional probabilities of activity landscape features for individual compounds

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

EID: 84880545998     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400288r     Document Type: Article
Times cited : (11)

References (19)
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  • 2
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    • Methods for SAR Visualization
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  • 3
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    • Maggiora, G.M.1
  • 4
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    • Exploring Activity Cliffs in Medicinal Chemistry
    • Stumpfe, D.; Bajorath, J. Exploring Activity Cliffs in Medicinal Chemistry J. Med. Chem. 2012, 55, 2932-2942
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    • Stumpfe, D.1    Bajorath, J.2
  • 5
    • 84879742615 scopus 로고    scopus 로고
    • Activity Landscapes, Information Theory, and Structure-Activity Relationships
    • in press; DOI: 10.1002/minf.201200120
    • Iyer, P.; Stumpfe, D.; Vogt, M.; Bajorath, J.; Maggiora, G. M. Activity Landscapes, Information Theory, and Structure-Activity Relationships. Mol. Inf., in press; DOI: 10.1002/minf.201200120.
    • Mol. Inf.
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  • 6
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    • Characterizing Property and Activity Landscapes Using an Information-Theoretic Approach. Proceedings of 222nd American Chemical Society National Meeting, Division of Chemical Information, Chicago, IL, August 26-30, 2001; American Chemical Society: Washington, DC, abstract no. 77
    • Shanmugasundaram, V.; Maggiora, G. M. Characterizing Property and Activity Landscapes Using an Information-Theoretic Approach. Proceedings of 222nd American Chemical Society National Meeting, Division of Chemical Information, Chicago, IL, August 26-30, 2001; American Chemical Society: Washington, DC, 2001; abstract no. 77.
    • (2001)
    • Shanmugasundaram, V.1    Maggiora, G.M.2
  • 9
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    • Searching Techniques for Databases of Two- and Three-Dimensional Structures
    • Willett, P. Searching Techniques for Databases of Two- and Three-Dimensional Structures J. Med. Chem. 2005, 48, 4183-4199
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  • 10
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    • Extended-Connectivity Fingerprints
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  • 12
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    • Unlike the case in the theory of classical crisp sets, in fuzzy sets the operations of intersection ″â̂©″ and union ″â̂″ can take on many forms such as the algebraic product employed in this work for set intersection. See e.g. Academic Press: New York
    • Unlike the case in the theory of classical crisp sets, in fuzzy sets the operations of intersection ″â̂©″ and union ″â̂″ can take on many forms such as the algebraic product employed in this work for set intersection. See e.g. Kaufmann, A. Theory of Fuzzy Subsets; Academic Press: New York, 1975; p 35.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.