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Chemmedchem|November 25, 2025
Improving Absorption, Distribution, Metabolism, and Excretion Property Predictions by Integrating Public and Proprietary DataPeer Schliephacke, Daniel Kuhn, Lukas FriedrichJournal of Cheminformatics|November 11, 2022
Tuning gradient boosting for imbalanced bioassay modelling with custom loss functionsDavide Boldini, Lukas Friedrich, Daniel Kuhn, et al.ACS Central Science|April 29, 2024
Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug DiscoveryDavide Boldini, Lukas Friedrich, Daniel Kuhn, et al.Journal of Cheminformatics|August 28, 2023
Practical guidelines for the use of gradient boosting for molecular property predictionDavide Boldini, Francesca Grisoni, Daniel Kuhn, et al.Journal of Chemical Information and Modeling|December 22, 2023
AIDDISON: Empowering Drug Discovery with AI/ML and CADD Tools in a Secure, Web-Based SaaS PlatformAndrew Rusinko, Mohammad Rezaei, Lukas Friedrich, et al.Molecular Informatics|January 11, 2018
De Novo Design of Bioactive Small Molecules by Artificial IntelligenceDaniel Merk, Lukas Friedrich, Francesca Grisoni, et al.Chemmedchem|April 12, 2019
Design of Natural-Product-Inspired Multitarget Ligands by Machine LearningFrancesca Grisoni, Daniel Merk, Lukas Friedrich, et al.Chemistryopen|January 10, 2019
Discovery of Novel Molecular Frameworks of Farnesoid X Receptor Modulators by Ensemble Machine LearningDaniel Merk, Francesca Grisoni, Kay Schaller, et al.Medchemcomm|August 29, 2018
Scaffold hopping from synthetic RXR modulators by virtual screening and de novo designDaniel Merk, Francesca Grisoni, Lukas Friedrich, et al.Journal of Medicinal Chemistry|June 15, 2018
Computer-Assisted Discovery of Retinoid X Receptor Modulating Natural Products and Isofunctional MimeticsDaniel Merk, Francesca Grisoni, Lukas Friedrich, et al.Pageof 7