Concepedia

Toxicity prediction and analysis of flavonoid apigenin as a histone deacetylase inhibitor: an in-silico approach

N. Divya Rajaselvi, M. Jida, Devu B. Nair, S. Sujith, Nisaath Beegum, A. R. Nisha

In Silico Pharmacology · 2023 · 11 citations · 25 references

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Concepts

References

25

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K 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

PubChem Substance and Compound databases

Sunghwan Kim, Paul Thiessen, Evan Bolton et al. · Nucleic Acids Research · 2015 · 5.5K citations · Full text

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pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher · Journal of Medicinal Chemistry · 2015 · 5.4K citations · Full text

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Clinical development success rates for investigational drugs

Michael Hay, David W. Thomas, John L. Craighead et al. · Nature Biotechnology · 2014 · 2.5K citations

, , +12