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Drug Discovery Today|March 15, 2006
Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hitsTobias Wunberg, Martin Hendrix, Alexander Hillisch, et al.Journal of Chemical Information and Modeling|December 17, 2014
Best of both worlds: combining pharma data and state of the art modeling technology to improve in Silico pKa predictionRobert Fraczkiewicz, Mario Lobell, Andreas H Göller, et al.Journal of Chemical Information and Modeling|November 13, 2019
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 ParametersSebastian Schneckener, Sergio Grimbs, Jessica Hey, et al.Molecular Endocrinology (Baltimore, Md.)|April 24, 2004
Dissecting physiological roles of estrogen receptor alpha and beta with potent selective ligands from structure-based designAlexander Hillisch, Olaf Peters, Dirk Kosemund, et al.Chemmedchem|September 23, 2006
In silico ADMET traffic lights as a tool for the prioritization of HTS hitsMario Lobell, Martin Hendrix, Berthold Hinzen, et al.Drug Discovery Today|July 12, 2020
Bayer's in silico ADMET platform: a journey of machine learning over the past two decadesAndreas H Göller, Lara Kuhnke, Floriane Montanari, et al.Proceedings of the National Academy of Sciences of the United States of America|March 24, 2004
Impact of isotype-selective estrogen receptor agonists on ovarian functionChrista Hegele-Hartung, Philip Siebel, Olaf Peters, et al.Bioorganic & Medicinal Chemistry Letters|October 20, 2009
Structure-based design, synthesis and in vitro characterization of potent 17beta-hydroxysteroid dehydrogenase type 1 inhibitors based on 2-substitutions of estrone and D-homo-estroneGabriele Möller, Dominga Deluca, Christian Gege, et al.The Journal of Biological Chemistry|July 24, 2010
A new mode of mineralocorticoid receptor antagonism by a potent and selective nonsteroidal moleculeJérôme Fagart, Alexander Hillisch, Jessica Huyet, et al.Chemical Science|October 27, 2023
Cyclobutane-bearing restricted anchoring residues enabled geometry-specific hydrocarbon peptide staplingBaobao Chen, Chao Liu, Wei Cong, et al.Pageof 5