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Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion.
J Cheminform. 2021 Nov 13;13(1):86. doi: 10.1186/s13321-021-00564-6.
J Cheminform. 2021.
PMID: 34774096
Free PMC article.
ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning.
Jiang D, Lei T, Wang Z, Shen C, Cao D, Hou T.
Jiang D, et al.
J Cheminform. 2020 Mar 5;12(1):16. doi: 10.1186/s13321-020-00421-y.
J Cheminform. 2020.
PMID: 33430990
Free PMC article.
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