Concepedia

Design, synthesis and evaluation of heteroaryldihydropyrimidine analogues bearing spiro ring as hepatitis B virus capsid protein inhibitors

Yue Ma, Shujie Zhao, Yujie Ren, Srinivasulu Cherukupalli, Qilan Li, Molly E. Woodson, Daniel P. Bradley, John E. Tavis, Xinyong Liu, Peng Zhan

European Journal of Medicinal Chemistry · 2021 · 23 citations · 32 references

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32

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Antoine Daina, Olivier Michielin, Vincent Zoete · Scientific Reports · 2017 · 17.1K citations · Full text

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews · 1997 · 11.2K citations

, , +16

Prediction of Physicochemical Parameters by Atomic Contributions

Scott A. Wildman, Gordon M. Crippen · Journal of Chemical Information and Computer Sciences · 1999 · 1.5K citations

, , +15

ESOL:  Estimating Aqueous Solubility Directly from Molecular Structure

John Delaney · Journal of Chemical Information and Computer Sciences · 2004 · 1.1K citations

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iLOGP: A Simple, Robust, and Efficient Description of <i>n</i>-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach

Antoine Daina, Olivier Michielin, Vincent Zoete · Journal of Chemical Information and Modeling · 2014 · 938 citations

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