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Volumn 56, Issue 9, 2016, Pages 1705-1713

Compound Prioritization in Single-Concentration Screening Data Using Ligand Efficiency Indexes

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; CORRELATION METHODS; DRUG PRODUCTS; EFFICIENCY; MULTIOBJECTIVE OPTIMIZATION; PHYSICOCHEMICAL PROPERTIES;

EID: 84988841687     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.6b00299     Document Type: Article
Times cited : (2)

References (18)
  • 2
    • 79955613841 scopus 로고    scopus 로고
    • Molecular Obesity, Potency and Other Addictions in Drug Discovery
    • Hann, M. M. Molecular Obesity, Potency and Other Addictions in Drug Discovery MedChemComm 2011, 2, 349-355 10.1039/c1md00017a
    • (2011) MedChemComm , vol.2 , pp. 349-355
    • Hann, M.M.1
  • 4
    • 1942453243 scopus 로고    scopus 로고
    • Ligand Efficiency: A Useful Metric for Lead Selection
    • Hopkins, A. L.; Groom, C. R.; Alex, A. Ligand Efficiency: a Useful Metric for Lead Selection Drug Discovery Today 2004, 9, 430-431 10.1016/S1359-6446(04)03069-7
    • (2004) Drug Discovery Today , vol.9 , pp. 430-431
    • Hopkins, A.L.1    Groom, C.R.2    Alex, A.3
  • 6
    • 35748934487 scopus 로고    scopus 로고
    • The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry
    • Leeson, P. D.; Springthorpe, B. The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry Nat. Rev. Drug Discovery 2007, 6, 881-890 10.1038/nrd2445
    • (2007) Nat. Rev. Drug Discovery , vol.6 , pp. 881-890
    • Leeson, P.D.1    Springthorpe, B.2
  • 8
    • 80051799265 scopus 로고    scopus 로고
    • Assessing the Lipophilicity of Fragments and Early Hits
    • Mortenson, P. N.; Murray, C. W. Assessing the Lipophilicity of Fragments and Early Hits J. Comput.-Aided Mol. Des. 2011, 25, 663-667 10.1007/s10822-011-9435-z
    • (2011) J. Comput.-Aided Mol. Des. , vol.25 , pp. 663-667
    • Mortenson, P.N.1    Murray, C.W.2
  • 9
    • 17044403086 scopus 로고    scopus 로고
    • Ligand Efficiency Indices as Guideposts for Drug Discovery
    • Abad-Zapatero, C.; Metz, J. T. Ligand Efficiency Indices as Guideposts for Drug Discovery Drug Discovery Today 2005, 10, 464-469 10.1016/S1359-6446(05)03386-6
    • (2005) Drug Discovery Today , vol.10 , pp. 464-469
    • Abad-Zapatero, C.1    Metz, J.T.2
  • 10
    • 84963641621 scopus 로고    scopus 로고
    • R Core Team. R Foundation for Statistical Computing, Vienna, Austria, (accessed May 1, 2016)
    • R Core Team. R: A Language and Environment for Statistical Computing. R Foundation for Statistical Computing, Vienna, Austria, 2014. http://www.R-project.org (accessed May 1, 2016).
    • (2014) R: A Language and Environment for Statistical Computing
  • 12
    • 84988890564 scopus 로고    scopus 로고
    • version 7.6; TIBCO Software Inc. Boston
    • TIBCO Spotfire, version 7.6; TIBCO Software Inc.: Boston, 2016.
    • (2016) TIBCO Spotfire
  • 13
    • 0032671931 scopus 로고    scopus 로고
    • Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way to Cluster Small and Large Data Sets
    • Butina, D. Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets J. Chem. Inf. Comp. Sci. 1999, 39, 747-750 10.1021/ci9803381
    • (1999) J. Chem. Inf. Comp. Sci. , vol.39 , pp. 747-750
    • Butina, D.1
  • 15
    • 84988824242 scopus 로고    scopus 로고
    • Evaluating Model Performance
    • Pack Publishing: Birmingham
    • Lantz, B. Evaluating Model Performance. In Machine Learning with R; Pack Publishing: Birmingham 2013, 313
    • (2013) Machine Learning with R , pp. 313
    • Lantz, B.1
  • 16
    • 84906764097 scopus 로고    scopus 로고
    • The Essential Roles of Chemistry in High-Throughput Screening Triage
    • Dahlin, J. L.; Walters, M. A. The Essential Roles of Chemistry in High-Throughput Screening Triage Future Med. Chem. 2014, 6, 1265-1290 10.4155/fmc.14.60
    • (2014) Future Med. Chem. , vol.6 , pp. 1265-1290
    • Dahlin, J.L.1    Walters, M.A.2
  • 17
  • 18
    • 84938514887 scopus 로고    scopus 로고
    • Ligand Efficiency Metrics: Why All the Fuss?
    • Reynolds, C. H. Ligand Efficiency Metrics: Why All the Fuss? Future Med. Chem. 2015, 7, 1363-1365 10.4155/fmc.15.70
    • (2015) Future Med. Chem. , vol.7 , pp. 1363-1365
    • Reynolds, C.H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.