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Volumn 52, Issue 12, 2012, Pages 3138-3143

Systematic assessment of compound series with SAR transfer potential

Author keywords

[No Author keywords available]

Indexed keywords

KNOWLEDGE BASED SYSTEMS;

EID: 84871587383     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300481d     Document Type: Article
Times cited : (25)

References (8)
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    • Wassermann, A. M.; Bajorath, J. A Data Mining Method to Facilitate SAR Transfer J. Chem. Inf. Model. 2011, 51, 1857-1866
    • (2011) J. Chem. Inf. Model. , vol.51 , pp. 1857-1866
    • Wassermann, A.M.1    Bajorath, J.2
  • 2
    • 0029894013 scopus 로고    scopus 로고
    • The Properties of Known Drugs. 1. Molecular Frameworks
    • Bemis, G. W.; Murcko, M. A. The Properties of Known Drugs. 1. Molecular Frameworks J. Med. Chem. 1996, 39, 2887-2893
    • (1996) J. Med. Chem. , vol.39 , pp. 2887-2893
    • Bemis, G.W.1    Murcko, M.A.2
  • 3
    • 85016377807 scopus 로고    scopus 로고
    • Structure Modification in Chemical Databases
    • Oprea, T. I. Wiley-VCH: Weinheim, Germany
    • Kenny, P. W.; Sadowski, J. Structure Modification in Chemical Databases. In Chemoinformatics in Drug Discovery; Oprea, T. I., Ed.; Wiley-VCH: Weinheim, Germany, 2005; pp 271-285.
    • (2005) Chemoinformatics in Drug Discovery , pp. 271-285
    • Kenny, P.W.1    Sadowski, J.2
  • 4
    • 33846108633 scopus 로고    scopus 로고
    • BindingDB: A Web-Accessible Database of Experimentally Determined Protein-Ligand Binding Affinities
    • D201
    • Liu, T.; Lin, Y.; Wen, X.; Jorissen, R. N.; Gilson, M. K. BindingDB: A Web-Accessible Database of Experimentally Determined Protein-Ligand Binding Affinities Nucleic Acids Res. 2007, 35, D198-D201
    • (2007) Nucleic Acids Res. , vol.35 , pp. 198
    • Liu, T.1    Lin, Y.2    Wen, X.3    Jorissen, R.N.4    Gilson, M.K.5
  • 6
    • 77949848865 scopus 로고    scopus 로고
    • Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets
    • Hussain, J.; Rea, C. Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets J. Chem. Inf. Model. 2010, 50, 339-348
    • (2010) J. Chem. Inf. Model. , vol.50 , pp. 339-348
    • Hussain, J.1    Rea, C.2
  • 7
    • 0023965741 scopus 로고
    • SMILES, a Chemical Language and Information System. 1. Introduction to Methodology and Encoding Rules
    • Weininger, D. SMILES, a Chemical Language and Information System. 1. Introduction to Methodology and Encoding Rules J. Chem. Inf. Comput. Sci. 1988, 28, 31-36
    • (1988) J. Chem. Inf. Comput. Sci. , vol.28 , pp. 31-36
    • Weininger, D.1
  • 8
    • 84871578194 scopus 로고    scopus 로고
    • OEChem TK version 1.7.4.3; OpenEye Scientific Software Inc. Santa Fe, NM.
    • OEChem TK version 1.7.4.3; OpenEye Scientific Software Inc.: Santa Fe, NM, 2010.
    • (2010)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.