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Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure.
Obrezanova O, Martinsson A, Whitehead T, Mahmoud S, Bender A, Miljković F, Grabowski P, Irwin B, Oprisiu I, Conduit G, Segall M, Smith GF, Williamson B, Winiwarter S, Greene N. Obrezanova O, et al. Among authors: oprisiu i. Mol Pharm. 2022 May 2;19(5):1488-1504. doi: 10.1021/acs.molpharmaceut.2c00027. Epub 2022 Apr 12. Mol Pharm. 2022. PMID: 35412314