Concepedia

Carbazole derivatives containing chalcone analogues targeting topoisomerase II inhibition: First principles characterization and QSAR modelling

Meriam Ghamri, Dalal Harkati, Samia Boudergua, Ridha Ben Said, Roberto Linguerri, G. Chambaud, M. Hochlaf

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2020 · 16 citations · 52 references

DOI

Concepts

References

52

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

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Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

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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

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Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

Daniel F. Veber, Stephen R. Johnson, Hung‐Yuan Cheng et al. · Journal of Medicinal Chemistry · 2002 · 8.1K citations

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Beware of q2!

Alexander Golbraikh, Alexander Tropsha · Journal of Molecular Graphics and Modelling · 2002 · 3.7K citations