Physicochemical Property Optimization
Physicochemical Property Optimization is a medicinal chemistry strategy that systematically modifies the molecular structure of a lead compound or prodrug to tune its intrinsic physical and chemical properties (e.g., lipophilicity, solubility, ionization, and stability) so as to achieve a target profile of absorption, distribution, metabolism, excretion, safety, and efficacy.
559
Publications
34.6K
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2.5K
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2017–2026
260
Children
Aqueous Solubility OptimizationCaco-2 Permeability OptimizationConformation-dependent Property OptimizationFragment-likeness OptimizationHydrogen Bonding OptimizationLead-likeness OptimizationLipinski Rule OptimizationPassive Diffusion OptimizationPolarity OptimizationRedox Stability Optimization
559
CHEM21 selection guide of classical- and less classical-solvents
Denis Prat, A.S. Wells, John Hayler et al. · Green Chemistry · 2015 · 2.1K citations · Full text
Pharmaceutical Cocrystals and Their Physicochemical Properties
N. Schultheiss, Ann Newman · Crystal Growth & Design · 2009 · 1.5K citations · Full text
admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties
Hongbin Yang, Chaofeng Lou, Lixia Sun et al. · Bioinformatics · 2018 · 1.4K citations
Journal of Chemical and Pharmaceutical Research, 2015, 7(7):933-939
Ibeth Bolagay, Darwin Rueda Ortiz, Norman Soria Idrovo et al. · 2015 · 1.2K citations
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870

GlaxoSmithKline (United Kingdom)
London, United Kingdom
11 h-index
42 publications
7.8K citations
AstraZeneca (United Kingdom)
Cambridge, United Kingdom
8 h-index
35 publications
4.5K citations

King Saud University
Riyadh, Saudi Arabia
8 h-index
10 publications
254 citations
Pfizer (United States)
New York, United States
6 h-index
20 publications
3.5K citations

Centre National de la Recherche Scientifique
Paris, France
6 h-index
17 publications
586 citations

Tehran University of Medical Sciences
Tehran, Iran
5 h-index
9 publications
204 citations
King Khalid University
Abhā, Saudi Arabia
5 h-index
7 publications
198 citations
Eli Lilly (United States)
Indianapolis, United States
5 h-index
17 publications
575 citations
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16 publications · 1.3K citations
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16 publications · 3.3K citations
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12 publications · 636 citations
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JCIM · 9 publications · 336 citations
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GC · 8 publications · 2.5K citations
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