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Prediction of Oral Bioavailability in Rats: Transferring Insights from in Vitro Correlations to (Deep) Machine Learning Models Using in Silico Model Outputs and Chemical Structure Parameters.
Schneckener S, Grimbs S, Hey J, Menz S, Osmers M, Schaper S, Hillisch A, Göller AH. Schneckener S, et al. Among authors: hillisch a. J Chem Inf Model. 2019 Nov 25;59(11):4893-4905. doi: 10.1021/acs.jcim.9b00460. Epub 2019 Nov 12. J Chem Inf Model. 2019. PMID: 31714067
Structure-Permeability Relationship of Semipeptidic Macrocycles-Understanding and Optimizing Passive Permeability and Efflux Ratio.
Le Roux A, Blaise É, Boudreault PL, Comeau C, Doucet A, Giarrusso M, Collin MP, Neubauer T, Kölling F, Göller AH, Seep L, Tshitenge DT, Wittwer M, Kullmann M, Hillisch A, Mittendorf J, Marsault E. Le Roux A, et al. Among authors: hillisch a. J Med Chem. 2020 Jul 9;63(13):6774-6783. doi: 10.1021/acs.jmedchem.0c00013. Epub 2020 May 26. J Med Chem. 2020. PMID: 32453569
Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
Roehrig S, Ackerstaff J, Jiménez Núñez E, Teller H, Ellerbrock P, Meier K, Heitmeier S, Tersteegen A, Stampfuss J, Lang D, Schlemmer KH, Schaefer M, Gericke KM, Kinzel T, Meibom D, Schmidt M, Gerdes C, Follmann M, Hillisch A. Roehrig S, et al. Among authors: hillisch a. J Med Chem. 2023 Sep 14;66(17):12203-12224. doi: 10.1021/acs.jmedchem.3c00795. Epub 2023 Sep 5. J Med Chem. 2023. PMID: 37669040 Free PMC article.
54 results