articleTop 10% cited
Prediction of drug solubility from Monte Carlo simulations
Bioorganic & Medicinal Chemistry Letters · 2000 · Vol. 10(11) · pp. 1155–1158
William L. Jorgensen✉(Yale University)Erin M. Duffy(Pfizer (United States))
Analytical Chemistry and ChromatographyCrystallization and Solubility StudiesComputational Drug Discovery MethodsChemistryPartition coefficientMonte Carlo methodSolubilityThermodynamicsOctanolAqueous solutionPolar surface areaHydrogen bondAccessible surface area
MeSH terms
Pharmaceutical PreparationsMonte Carlo MethodSolubility
Funding
- National Science Foundation
- Serbian Academy of Sciences and Arts
Citations
365
FWCI
5.34
field-weighted impact
References
12
Percentile
97%
vs. same field & year
Citations per year
References
Octanol-water partition coefficients: Fundamentals and physical chemistry
European Journal of Medicinal Chemistry · 1997 · 650 citations
Comparison of simple potential functions for simulating liquid water
The Journal of Chemical Physics · 1983 · 41,376 citations
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
Journal of the American Chemical Society · 1996 · 15,057 citations
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