Practical application of ligand efficiency metrics in lead optimisation

Bioorganic and Medicinal Chemistry

Volumn 26, Issue 11, 2018, Pages 3006-3015

  Scott, James S ^a   Waring, Michael J ^b  

^a ASTRAZENECA   (United Kingdom)

^b NEWCASTLE UNIVERSITY   (United Kingdom)

Author keywords

Lead optimisation; Ligand efficiency; Lipophilic ligand efficiency; Lipophilicity

Indexed keywords

11BETA HYDROXYSTEROID DEHYDROGENASE 1; BROMODOMAIN INHIBITOR; ENZYME ACTIVATOR; EPIDERMAL GROWTH FACTOR RECEPTOR; G PROTEIN COUPLED RECEPTOR 119 AGONIST; OSIMERTINIB; UNCLASSIFIED DRUG; LIGAND; LIPID;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; LIPOPHILIC LIGAND EFFICIENCY; LIPOPHILICITY; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; PRACTICE GUIDELINE; PROCESS OPTIMIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; CHEMISTRY; DRUG DEVELOPMENT; SOLUBILITY; STANDARDS;

DRUG DISCOVERY; LIGANDS; LIPIDS; SOLUBILITY;

EID: 85045222935     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2018.04.004     Document Type: Article

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