Table 9.

Applications of QSAR in predicting ADMET properties from 2016 to 2018.

Year	Tool/Method	Compound	Properties	References
2016	ACD/I-lab	Angiogenic inhibitor for brain tumor	logS, logP, logD, logBB, hERG inhibition, HBA, HBD, MW	Khan et al., 2016
2016	QikProp 4.6	N-pyridyl, Pyrimidine benzamides	logS, logBB, MDCK, logKP, metab, CNS, loghERG, HOA	Malik et al., 2016
2017	ACD ChemSketch	Flavonoids	MW, IC50, Index of refraction, Surface tension, Density, Polarity, logP	Das et al., 2017
2017	CoMFA model	CITCO, α-naphtholphthalein, diethylstilbestrol, TPP, phenytoin, (R)-ethotoin, (S)-ethotoin	Drug-drug interactions, logP	Kato et al., 2017
2017	Discovery Studio v3.5	Novel dibenzofuran derivatives	PSA, Solubility, HIA, Cytochrome P450 2D6, BBB, PPB, Hepatotoxicity	Ma et al., 2017
2017	Self-organizing molecular field analysis (SOMFA)	Curcumin analogs	MW, IC50, logP	Verma and Thareja, 2017
2018	CoMFA and CoMSIA	Scopoletin Phenolic Ether Derivatives	LC50, TPSA	Luo et al., 2018
2018	MLR, SYBYLX v1.3, CoMFA and CoMSIA	Amyloid β aggregation inhibitors	IC50	Aswathy et al., 2018
2018	Quantum Mechanics/ Molecular Mechanics (QM/MM)	DCHA inhibitors	IC50	Kollar and Frecer, 2018
2018	QikProp 4.6	TGF-type I inhibitors	IC50, BBB, logS	Ajay Kumar et al., 2018

LogP, octanol-water partition coefficient; LogD, octanol-water distribution coefficient; logS, aqueous solubility; logBB, blood-brain barrier; hERG, human ether-a-go-go related gene block; HOA, human oral absorption; PPB, plasma protein binding; MW, Molecular weight; LC50, median lethal concentration; TPSA, topological polar surface area; PSA, polar surface area; IC50, half maximal inhibitory concentration; HIA, human intestinal absorption; MDCK, madin Darby canine kidney cell line.