Publications by authors named "Filip Miljkovic"

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Metabolite Identification Data in Drug Discovery, Part 1: Data Generation and Trend Analysis.
Marie Ahlqvist, Isabella Bonner Karlsson, Anja Ekdahl, Cecilia Ericsson, Ulrik Jurva

Mol Pharm· November 2025

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Metabolite Identification Data in Drug Discovery, Part 2: Site-of-Metabolism Annotation, Analysis, and Exploration for Machine Learning.
Ya Chen, Susanne Winiwarter, Roxane Axel Jacob, Marie Ahlqvist, Angelica Mazzolari

Mol Pharm· November 2025

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Development of novel high-throughput biochemical competition assays to identify ligands of human asialoglycoprotein receptor 1.
Jianming Liu, Bradley Peter, Lauren Rhodes, Mats Ormö, Bo Peng

SLAS Discov· September 2025

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Correction to "Closing the Design-Make-Test-Analyze Loop: Interplay between Experiments and Predictions Drives PROTACs Bioavailability".
Zulma Santisteban Valencia, Jennifer Kingston, Filip Miljković, Hannah Rowbottom, Nadia Mann

J Med Chem· July 2025

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Closing the Design-Make-Test-Analyze Loop: Interplay between Experiments and Predictions Drives PROTACs Bioavailability.
Zulma Santisteban Valencia, Jennifer Kingston, Filip Miljković, Hannah Rowbottom, Nadia Mann

J Med Chem· November 2024

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Kinase Drug Discovery: Impact of Open Science and Artificial Intelligence.
Filip Miljković, Jürgen Bajorath

Mol Pharm· October 2024

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Perspectives on the use of machine learning for ADME prediction at AstraZeneca.
Erik Gawehn, Nigel Greene, Filip Miljković, Olga Obrezanova, Vigneshwari Subramanian

Xenobiotica· July 2024

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Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation.
Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari

J Chem Inf Model· January 2024

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Data-Driven Global Assessment of Protein Kinase Inhibitors with Emphasis on Covalent Compounds.
Elena Xerxa, Filip Miljković, Jürgen Bajorath

J Med Chem· June 2023

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Evaluating the performance of machine-learning regression models for pharmacokinetic drug-drug interactions.
Jaidip Gill, Marie Moullet, Anton Martinsson, Filip Miljković, Beth Williamson

CPT Pharmacometrics Syst Pharmacol· January 2023

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Comparing the applications of machine learning, PBPK, and population pharmacokinetic models in pharmacokinetic drug-drug interaction prediction.
Jaidip Gill, Marie Moullet, Anton Martinsson, Filip Miljković, Beth Williamson

CPT Pharmacometrics Syst Pharmacol· December 2022

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Machine Learning in Chemoinformatics and Medicinal Chemistry.
Raquel Rodríguez-Pérez, Filip Miljković, Jürgen Bajorath

Annu Rev Biomed Data Sci· August 2022

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Cell Morphological Profiling Enables High-Throughput Screening for PROteolysis TArgeting Chimera (PROTAC) Phenotypic Signature.
Maria-Anna Trapotsi, Elizabeth Mouchet, Guy Williams, Tiziana Monteverde, Karolina Juhani

ACS Chem Biol· July 2022

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Multi-task convolutional neural networks for predicting in vitro clearance endpoints from molecular images.
Andrés Martínez Mora, Vigneshwari Subramanian, Filip Miljković

J Comput Aided Mol Des· June 2022

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Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure.
Olga Obrezanova, Anton Martinsson, Tom Whitehead, Samar Mahmoud, Andreas Bender

Mol Pharm· May 2022

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Structure- and Similarity-Based Survey of Allosteric Kinase Inhibitors, Activators, and Closely Related Compounds.
Oliver Laufkötter, Huabin Hu, Filip Miljković, Jürgen Bajorath

J Med Chem· January 2022

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Approach for the Design of Covalent Protein Kinase Inhibitors via Focused Deep Generative Modeling.
Atsushi Yoshimori, Filip Miljković, Jürgen Bajorath

Molecules· January 2022

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Machine Learning Models for Human Pharmacokinetic Parameters with In-House Validation.
Filip Miljković, Anton Martinsson, Olga Obrezanova, Beth Williamson, Martin Johnson

Mol Pharm· December 2021

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Impact of Artificial Intelligence on Compound Discovery, Design, and Synthesis.
Filip Miljković, Raquel Rodríguez-Pérez, Jürgen Bajorath

ACS Omega· December 2021

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Data set of competitive and allosteric protein kinase inhibitors confirmed by X-ray crystallography.
Huabin Hu, Oliver Laufkötter, Filip Miljković, Jürgen Bajorath

Data Brief· April 2021

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Systematic comparison of competitive and allosteric kinase inhibitors reveals common structural characteristics.
Huabin Hu, Oliver Laufkötter, Filip Miljković, Jürgen Bajorath

Eur J Med Chem· March 2021

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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.
Raquel Rodríguez-Pérez, Filip Miljković, Jürgen Bajorath

J Cheminform· May 2020

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Promiscuity analysis of a kinase panel screen with designated p38 alpha inhibitors.
Mariana González-Medina, Filip Miljković, Gernot S Haase, Peter Drueckes, Joerg Trappe

Eur J Med Chem· February 2020

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Data structures for computational compound promiscuity analysis and exemplary applications to inhibitors of the human kinome.
Filip Miljković, Jürgen Bajorath

J Comput Aided Mol Des· January 2020

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Identifying Promiscuous Compounds with Activity against Different Target Classes.
Christian Feldmann, Filip Miljković, Dimitar Yonchev, Jürgen Bajorath

Molecules· November 2019

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