Data-Driven Global Assessment of Protein Kinase Inhibitors with Emphasis on Covalent Compounds
Xerxa, Elena, Miljković, Filip, Bajorath, Jürgen
Published in Journal of medicinal chemistry (08.06.2023)
Published in Journal of medicinal chemistry (08.06.2023)
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Journal Article
Machine Learning Models for Human In Vivo Pharmacokinetic Parameters with In-House Validation
Miljković, Filip, Martinsson, Anton, Obrezanova, Olga, Williamson, Beth, Johnson, Martin, Sykes, Andy, Bender, Andreas, Greene, Nigel
Published in Molecular pharmaceutics (06.12.2021)
Published in Molecular pharmaceutics (06.12.2021)
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Journal Article
Interpretable bilinear attention network with domain adaptation improves drug–target prediction
Bai, Peizhen, Miljković, Filip, John, Bino, Lu, Haiping
Published in Nature machine intelligence (01.02.2023)
Published in Nature machine intelligence (01.02.2023)
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Journal Article
Approach for the Design of Covalent Protein Kinase Inhibitors via Focused Deep Generative Modeling
Yoshimori, Atsushi, Miljković, Filip, Bajorath, Jürgen
Published in Molecules (Basel, Switzerland) (17.01.2022)
Published in Molecules (Basel, Switzerland) (17.01.2022)
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Journal Article
Prediction of In Vivo Pharmacokinetic Parameters and Time–Exposure Curves in Rats Using Machine Learning from the Chemical Structure
Obrezanova, Olga, Martinsson, Anton, Whitehead, Tom, Mahmoud, Samar, Bender, Andreas, Miljković, Filip, Grabowski, Piotr, Irwin, Ben, Oprisiu, Ioana, Conduit, Gareth, Segall, Matthew, Smith, Graham F, Williamson, Beth, Winiwarter, Susanne, Greene, Nigel
Published in Molecular pharmaceutics (02.05.2022)
Published in Molecular pharmaceutics (02.05.2022)
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Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation
Chen, Ya, Seidel, Thomas, Jacob, Roxane Axel, Hirte, Steffen, Mazzolari, Angelica, Pedretti, Alessandro, Vistoli, Giulio, Langer, Thierry, Miljković, Filip, Kirchmair, Johannes
Published in Journal of chemical information and modeling (22.01.2024)
Published in Journal of chemical information and modeling (22.01.2024)
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Journal Article
Identifying Promiscuous Compounds with Activity against Different Target Classes
Feldmann, Christian, Miljković, Filip, Yonchev, Dimitar, Bajorath, Jürgen
Published in Molecules (Basel, Switzerland) (18.11.2019)
Published in Molecules (Basel, Switzerland) (18.11.2019)
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Journal Article
Assessing the information content of structural and protein–ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning
Rodríguez-Pérez, Raquel, Miljković, Filip, Bajorath, Jürgen
Published in Journal of cheminformatics (24.05.2020)
Published in Journal of cheminformatics (24.05.2020)
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Journal Article
Closing the Design–Make–Test–Analyze Loop: Interplay between Experiments and Predictions Drives PROTACs Bioavailability
Santisteban Valencia, Zulma, Kingston, Jennifer, Miljković, Filip, Rowbottom, Hannah, Mann, Nadia, Davies, Sophie, Ekblad, Martin, Di Castro, Silvio, Kwapień, Karolina, Malmerberg, Erik, Friis, Stig D., Lundbäck, Thomas, Leek, Tomas, Wernevik, Johan
Published in Journal of medicinal chemistry (08.11.2024)
Published in Journal of medicinal chemistry (08.11.2024)
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Cell Morphological Profiling Enables High-Throughput Screening for PROteolysis TArgeting Chimera (PROTAC) Phenotypic Signature
Trapotsi, Maria-Anna, Mouchet, Elizabeth, Williams, Guy, Monteverde, Tiziana, Juhani, Karolina, Turkki, Riku, Miljković, Filip, Martinsson, Anton, Mervin, Lewis, Pryde, Kenneth R., Müllers, Erik, Barrett, Ian, Engkvist, Ola, Bender, Andreas, Moreau, Kevin
Published in ACS chemical biology (15.07.2022)
Published in ACS chemical biology (15.07.2022)
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