Concepedia

Investigation of pyrimidine analogues as xanthine oxidase inhibitors to treat of hyperuricemia and gout through combined QSAR techniques, molecular docking and molecular dynamics simulations

Rahman Abdizadeh, Esfandiar Heidarian, Farzin Hadizadeh, Tooba Abdizadeh

Journal of the Taiwan Institute of Chemical Engineers · 2020 · 30 citations · 77 references

DOI

Concepts

References

77

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

, , +16

Beware of q2!

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

y-Randomization and Its Variants in QSPR/QSAR

Christoph Rücker, Gerta Rücker, Markus Meringer · Journal of Chemical Information and Modeling · 2007 · 937 citations

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Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies

Richard D. Cramer, Jeffrey D. Bunce, David E. Patterson et al. · Quantitative Structure-Activity Relationships · 1988 · 840 citations

, , +9

Partial least squares analysis with cross‐validation for the two‐class problem: A Monte Carlo study

Lars Ståhle, Svante Wold · Journal of Chemometrics · 1987 · 492 citations

, , +8