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Volumn 40, Issue 6, 2000, Pages 1349-1355

Robustness of Biological Activity Spectra Predicting by Computer Program PASS for Noncongeneric Sets of Chemical Compounds

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CHEMISTRY; COMPUTER PROGRAM; DRUG SCREENING; FACTUAL DATABASE; METHODOLOGY; STRUCTURE ACTIVITY RELATION;

EID: 0034320172     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci000383k     Document Type: Article
Times cited : (234)

References (19)
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    • (1993) Acc. Chem. Res. , vol.26 , pp. 147-153
    • Hansch, C.1
  • 3
    • 0032618778 scopus 로고    scopus 로고
    • Correlative and Mechanistic QSAR Models in Toxicology
    • Lipnick, R. L. Correlative and Mechanistic QSAR Models in Toxicology. SAR QSAR Environ. Res. 1999, 10(2-3), 239-248.
    • (1999) SAR QSAR Environ. Res. , vol.10 , Issue.2-3 , pp. 239-248
    • Lipnick, R.L.1
  • 8
    • 33751392117 scopus 로고
    • Clustering of Chemical Structures on the Basis of Two-Dimensional Similarity Measures
    • Barnard, J. M.; Downs, G. M. Clustering of Chemical Structures on the Basis of Two-Dimensional Similarity Measures. J. Chem. Inf Comput. Sci. 1992, 32, 644-649.
    • (1992) J. Chem. Inf Comput. Sci. , vol.32 , pp. 644-649
    • Barnard, J.M.1    Downs, G.M.2
  • 9
    • 0000462999 scopus 로고    scopus 로고
    • Comparison of 2D Fingerprints Types and Hierarchy Level Selection Methods for Structural Grouping Using Ward's Clustering
    • Wild, D. J.; Blankey, C. J. Comparison of 2D Fingerprints Types and Hierarchy Level Selection Methods for Structural Grouping Using Ward's Clustering. J. Chem. Inf Comnpul. Sci. 2000, 40(1), 155-162.
    • (2000) J. Chem. Inf Comnpul. Sci. , vol.40 , Issue.1 , pp. 155-162
    • Wild, D.J.1    Blankey, C.J.2
  • 10
    • 0342645323 scopus 로고    scopus 로고
    • Use of Structure-Activity Data to Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
    • Brown, R. D.; Martin, Y. C. Use of Structure-Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection. J. Chem. Inf. Comput. Sci. 1996, 36, 572-584.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 572-584
    • Brown, R.D.1    Martin, Y.C.2
  • 14
    • 0040513005 scopus 로고    scopus 로고
    • English translation by Consultants Bureau, New York
    • Poroikov, V. V.; Filimonov, D. A.; Stepanchikova, A. V.; Kazarian, R. K.; Boudunova, A. P.; Mihailovskiy, E. M.; Rudnitskih, A. V.; Goncharenko, L. V.; Burov, Yu. V. Opimization of Synthesis and Pharmacological Testing of New Compounds Based on Computerized Prediction of Their Biological Activity Spectra. Chim.-Pharm. J. (Russ.) 1996, 30(9). 20-23 (English translation by Consultants Bureau, New York: Pharm. Chem. J. 1996, 30(9), 570-573).
    • (1996) Pharm. Chem. J. , vol.30 , Issue.9 , pp. 570-573
  • 15
    • 85037511719 scopus 로고    scopus 로고
    • http://www.ibmh.msk.su/PASS.
  • 17
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    • http://wwwv.vei.c-o.uk/chemweb/library/lecturel 17/slideroom_babaev/ transcript.html.
  • 18
    • 0000992784 scopus 로고    scopus 로고
    • Chemical Similarity Assessment Trough Multilevel Neighborhoods of Atoms: Definition and Comparison with the Other Descriptors
    • Filimonov, D. A.; Poroikov, V. V.; Borodina, Y.; Gloriozova, T. Chemical Similarity Assessment Trough Multilevel Neighborhoods of Atoms: Definition and Comparison with The Other Descriptors. J. Chem. Inf. Comput. Sci. 1999, 39, 666-670.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 666-670
    • Filimonov, D.A.1    Poroikov, V.V.2    Borodina, Y.3    Gloriozova, T.4
  • 19
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    • MDL Information Systems, Inc.
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    • (1997) MDL Drug Data Report 97.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.