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Volumn 5, Issue 1, 2014, Pages 2-5

Improving the plausibility of success with inefficient metrics

Author keywords

decision making; drug likeness; efficiency metrics; fragment based drug design; Ligand efficiency (LE); lipophilic efficiency (LipE)

Indexed keywords

CARBON; LIGAND;

EID: 84892596742     PISSN: None     EISSN: 19485875     Source Type: Journal    
DOI: 10.1021/ml4004638     Document Type: Review
Times cited : (56)

References (9)
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  • 2
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    • Medicinal chemistry matters: A call for discipline in our discipline
    • Johnstone, C. Medicinal chemistry matters: a call for discipline in our discipline Drug Discovery Today 2012, 17, 538-543
    • (2012) Drug Discovery Today , vol.17 , pp. 538-543
    • Johnstone, C.1
  • 3
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    • Farrar, Straus and Giroux: New York
    • Kahneman, D. Thinking, Fast and Slow; Farrar, Straus and Giroux: New York, 2011; p 499.
    • (2011) Thinking, Fast and Slow , pp. 499
    • Kahneman, D.1
  • 4
    • 84885172160 scopus 로고    scopus 로고
    • Setting expectations in molecular optimizations: Strengths and limitations of commonly used composite parameters
    • Shultz, M. D. Setting expectations in molecular optimizations: Strengths and limitations of commonly used composite parameters Bioorg. Med. Chem. Lett. 2013, 23, 5980-5991
    • (2013) Bioorg. Med. Chem. Lett. , vol.23 , pp. 5980-5991
    • Shultz, M.D.1
  • 5
    • 84892583982 scopus 로고    scopus 로고
    • Myriad Metrics-but Which Are Useful?, Too Many Metrics http://pipeline.corante.com/archives/2013/08/22/too-many-metrics.php, More Thoughts on Compound Metrics http://pipeline.corante.com/archives/2013/09/04/ more-thoughts-on-compound-metrics.php.
    • Myriad Metrics-but Which Are Useful? http://practicalfragments.blogspot. com/2013/08/myriad-metrics-but-which-are-useful.html, Too Many Metrics http://pipeline.corante.com/archives/2013/08/22/too-many-metrics.php, More Thoughts on Compound Metrics http://pipeline.corante.com/archives/2013/09/04/ more-thoughts-on-compound-metrics.php.
  • 6
    • 0037468884 scopus 로고    scopus 로고
    • A comparison of physiochemical property profiles of development and marketed oral drugs
    • Wenlock, M. C.; Austin, R. P.; Barton, P.; Davis, A. M.; Leeson, P. D. A comparison of physiochemical property profiles of development and marketed oral drugs J. Med. Chem. 2003, 46, 1250-1256
    • (2003) J. Med. Chem. , vol.46 , pp. 1250-1256
    • Wenlock, M.C.1    Austin, R.P.2    Barton, P.3    Davis, A.M.4    Leeson, P.D.5
  • 7
    • 84864268973 scopus 로고    scopus 로고
    • Relating molecular properties and in vitro assay results to in vivo drug disposition and toxicity outcomes
    • Sutherland, J. J.; Raymond, J. W.; Stevens, J. L.; Baker, T. K.; Watson, D. E. Relating molecular properties and in vitro assay results to in vivo drug disposition and toxicity outcomes J. Med. Chem. 2012, 55, 6455-6466
    • (2012) J. Med. Chem. , vol.55 , pp. 6455-6466
    • Sutherland, J.J.1    Raymond, J.W.2    Stevens, J.L.3    Baker, T.K.4    Watson, D.E.5
  • 8
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    • Inflation of correlation in the pursuit of drug-likeness
    • Kenny, P. W.; Montanari, C. A. Inflation of correlation in the pursuit of drug-likeness J. Comput.-Aided Mol. Des. 2013, 27, 1-13
    • (2013) J. Comput.-Aided Mol. Des. , vol.27 , pp. 1-13
    • Kenny, P.W.1    Montanari, C.A.2
  • 9
    • 84885190072 scopus 로고    scopus 로고
    • The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations
    • Shultz, M. D. The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations Bioorg. Med. Chem. Lett. 2013, 23, 5992-6000
    • (2013) Bioorg. Med. Chem. Lett. , vol.23 , pp. 5992-6000
    • Shultz, M.D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.