메뉴 건너뛰기




Volumn 40, Issue 5, 2000, Pages 1177-1187

Drug-like index: A new approach to measure drug-like compounds and their diversity

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; COMBINATORIAL CHEMISTRY; DRUG DESIGN; FACTUAL DATABASE;

EID: 0034266313     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci000026+     Document Type: Article
Times cited : (174)

References (22)
  • 1
    • 0041022642 scopus 로고    scopus 로고
    • Introduction: Combinatorial Chemistry Approaches the Next Millennium
    • Czarnik, A. W., DeWitt, S. H., Eds.; ACS: Washington, DC
    • Moos, W. Introduction: Combinatorial Chemistry Approaches the Next Millennium. In A Practical Guide to Combinatorial Chemistry; Czarnik, A. W., DeWitt, S. H., Eds.; ACS: Washington, DC, 1997; pp 1-16.
    • (1997) A Practical Guide to Combinatorial Chemistry , pp. 1-16
    • Moos, W.1
  • 2
    • 85037456887 scopus 로고    scopus 로고
    • Screening of Combinatorial Libraries
    • Czarnik A. W., DeWitt, S. H., Eds.; ACS: Washington, DC
    • Craig, F. F. Screening of Combinatorial Libraries. In A Practical Guide to Combinatorial Chemistry; Czarnik A. W., DeWitt, S. H., Eds.; ACS: Washington, DC, 1997; pp 399-412.
    • (1997) A Practical Guide to Combinatorial Chemistry , pp. 399-412
    • Craig, F.F.1
  • 3
    • 0029065615 scopus 로고
    • Combinatorial Synthesis - The Design of Compound Libraries and their Application to Drug Discovery
    • Terrett, N. K.; Gardner, M.; Gordon, D. W.; Kobylecki, R. J.; Steele, J. Combinatorial Synthesis - The Design of Compound Libraries and their Application to Drug Discovery. Tetrahedron 1995, 51, No. 30, 8135-8173.
    • (1995) Tetrahedron , vol.51 , Issue.30 , pp. 8135-8173
    • Terrett, N.K.1    Gardner, M.2    Gordon, D.W.3    Kobylecki, R.J.4    Steele, J.5
  • 4
    • 0000666737 scopus 로고    scopus 로고
    • Using Computational Tools to Analyze Molecular Diversity
    • Czarnik, A. W., DeWitt, S. H., Eds.; ACS: Washington, DC
    • Willett, P. Using Computational Tools to Analyze Molecular Diversity. In A Practical Guide to Combinatorial Chemistry; Czarnik, A. W., DeWitt, S. H., Eds.; ACS: Washington, DC, 1997; pp 17-47.
    • (1997) A Practical Guide to Combinatorial Chemistry , pp. 17-47
    • Willett, P.1
  • 5
    • 0000684663 scopus 로고    scopus 로고
    • OptiSim. An Extended Dissimilarity Method for Finding Diverse Representative Subsets
    • Clark, R. D. OptiSim. An Extended Dissimilarity Method for Finding Diverse Representative Subsets. J. Chem. Inf. Comput. Sci. 1997; 37, No. 6, 1187-1188.
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , Issue.6 , pp. 1187-1188
    • Clark, R.D.1
  • 6
    • 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, No. 3, 572-584.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , Issue.3 , pp. 572-584
    • Brown, R.D.1    Martin, Y.C.2
  • 7
    • 33751392117 scopus 로고
    • Clustering of Chemical Structures on the Basis of Two-Dimensional Similarity Measures
    • Barnard, J. M. Clustering of Chemical Structures on the Basis of Two-Dimensional Similarity Measures. J. Chem. Inf. Comput. Sci. 1992, 32, No. 6, 644-649.
    • (1992) J. Chem. Inf. Comput. Sci. , vol.32 , Issue.6 , pp. 644-649
    • Barnard, J.M.1
  • 8
    • 0028953765 scopus 로고
    • Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
    • Martin, E. J.; Blaney, J. M.; Siani, M. A. et al. Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery. J. Med. Chem. 1995, 38, No. 9, 1431-1436.
    • (1995) J. Med. Chem. , vol.38 , Issue.9 , pp. 1431-1436
    • Martin, E.J.1    Blaney, J.M.2    Siani, M.A.3
  • 9
    • 0010304362 scopus 로고    scopus 로고
    • Using Pharmacophore Diversity to Select Molecules to Test from Commercial Catalogues
    • Chaiken, I. M., Janda, K. D., Eds.; ACS: Washington, DC
    • Davies, K. Using Pharmacophore Diversity to Select Molecules to Test from Commercial Catalogues. In Molecular Diversity and Combinatorial Chemistry; Chaiken, I. M., Janda, K. D., Eds.; ACS: Washington, DC, 1996; pp 309-316.
    • (1996) Molecular Diversity and Combinatorial Chemistry , pp. 309-316
    • Davies, K.1
  • 10
    • 15744363581 scopus 로고    scopus 로고
    • Metric Validation and the Receptor-Relevant Subspace Concept
    • Pearlman, R. S.; Smith, K. M. Metric Validation and the Receptor-Relevant Subspace Concept. J. Chem. Inf. Comput. Sci. 1999, 39, No. 1, 28-35.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , Issue.1 , pp. 28-35
    • Pearlman, R.S.1    Smith, K.M.2
  • 11
    • 0001916126 scopus 로고    scopus 로고
    • An Efficient Implementation of Distance-Based Diversity Measures Based on k-d Trees
    • Agrafiotis, D. K.; Lobanov, V. S. An Efficient Implementation of Distance-Based Diversity Measures Based on k-d Trees. J. Chem. Inf. Comput. Sci. 1999, 39, No. 1, 51-58.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , Issue.1 , pp. 51-58
    • Agrafiotis, D.K.1    Lobanov, V.S.2
  • 12
    • 15844383852 scopus 로고    scopus 로고
    • Selecting Combinatorial Libraries to Optimize Diversity and Properties
    • Gillet, V. J.; Willett, P.; Bradshaw, J.; Green, D. V. S. Selecting Combinatorial Libraries to Optimize Diversity and Properties. J. Chem. Inf. Comput. Sci. 1999, 39, No. 1, 169-177.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , Issue.1 , pp. 169-177
    • Gillet, V.J.1    Willett, P.2    Bradshaw, J.3    Green, D.V.S.4
  • 16
    • 0032600640 scopus 로고    scopus 로고
    • A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases
    • Ghose, A. K.; Viswanadhan, V. N.; Wendoloski, J. J. A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases. J. Comb. Chem. 1999, 1, 55-68.
    • (1999) J. Comb. Chem. , vol.1 , pp. 55-68
    • Ghose, A.K.1    Viswanadhan, V.N.2    Wendoloski, J.J.3
  • 17
    • 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
  • 18
    • 0001970497 scopus 로고    scopus 로고
    • GMA: A Generic Match Algorithm for structural Homorphism, Isomorphism, Maximal Common Substructure Match and Its Applications
    • Xu, J. GMA: A Generic Match Algorithm for structural Homorphism, Isomorphism, Maximal Common Substructure Match and Its Applications. J. Chem. Inf. Comput. Sci. 1996, 36, 25-34.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 25-34
    • Xu, J.1
  • 19
    • 3743101816 scopus 로고
    • HBA: A new algorithm for structural match and applications
    • Xu, J.; Zhang, M. HBA: A new algorithm for structural match and applications. Tetrahedron Computer Methodology 1989, 2, No. 2, 349-356.
    • (1989) Tetrahedron Computer Methodology , vol.2 , Issue.2 , pp. 349-356
    • Xu, J.1    Zhang, M.2
  • 21
    • 0033576605 scopus 로고    scopus 로고
    • Properties of Known Drugs. 2. Side Chains
    • Bemis, G. W.; Murcko, M. A. Properties of Known Drugs. 2. Side Chains. J. Med. Chem. 1999, 42, 5095-5099.
    • (1999) J. Med. Chem. , vol.42 , pp. 5095-5099
    • Bemis, G.W.1    Murcko, M.A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.