Ligand efficiency metrics considered harmful

Journal of Computer-Aided Molecular Design

Volumn 28, Issue 7, 2014, Pages 699-710

  Kenny, Peter W ^a   Leitão, Andrei ^a   Montanari, Carlos A ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Acid base properties; Ligand efficiency; Lipophilic efficiency; Metric; Property based design

Indexed keywords

BIOACTIVITY; DRUG PRODUCTS; LIGANDS; THERMODYNAMICS;

ACID-BASE PROPERTY; DRUG DISCOVERY; EFFICIENCY METRICS; LIGAND EFFICIENCY; LIPOPHILIC EFFICIENCY; LIPOPHILICITY; METRIC; PHYSICOCHEMICAL PROPERTY; PROPERTY-BASED; PROPERTY-BASED DESIGN;

EFFICIENCY;

BIOLOGICAL ACTIVITY; CONTROLLED STUDY; LIGAND EFFICIENCY METRIC; LIPOPHILICITY; MOLECULAR SIZE; MOLECULAR WEIGHT; PH; PHARMACEUTICS; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN BINDING; REVIEW; THERMODYNAMICS; CHEMISTRY; DRUG DEVELOPMENT; HUMAN;

LIGAND; PROTEIN; PROTEIN BINDING;

DRUG DISCOVERY; HUMANS; LIGANDS; PROTEIN BINDING; PROTEINS; THERMODYNAMICS;

EID: 84904389204     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-014-9757-8     Document Type: Review

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