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Molecules (Basel, Switzerland)
|
July 29, 2023
Explaining Multiclass Compound Activity Predictions Using Counterfactuals and Shapley Values
Alec Lamens, Jürgen Bajorath
Journal of Cheminformatics
|
September 23, 2025
Contrastive explanations for machine learning predictions in chemistry
Alec Lamens, Jürgen Bajorath
RSC Medicinal Chemistry
|
May 24, 2024
Systematic generation and analysis of counterfactuals for compound activity predictions using multi-task models
Alec Lamens, Jürgen Bajorath
Chemical Science
|
January 14, 2026
Explainable artificial intelligence for molecular design in pharmaceutical research
Alec Lamens, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
January 17, 2025
Rationalizing Predictions of Isoform-Selective Phosphoinositide 3-Kinase Inhibitors Using MolAnchor Analysis
Alec Lamens, Jürgen Bajorath
Molecular Informatics
|
March 20, 2025
Comparing Explanations of Molecular Machine Learning Models Generated with Different Methods for the Calculation of Shapley Values
Alec Lamens, Jürgen Bajorath
Chemmedchem
|
November 20, 2023
Generation of Molecular Counterfactuals for Explainable Machine Learning Based on Core-Substituent Recombination
Alec Lamens, Jürgen Bajorath
Molecules (Basel, Switzerland)
|
January 21, 2023
Explaining Accurate Predictions of Multitarget Compounds with Machine Learning Models Derived for Individual Targets
Alec Lamens, Jürgen Bajorath
JACC. Basic to Translational Science
|
July 30, 2025
CD137 Signaling Modulates Vein Graft Atherosclerosis by Driving T-Cell Activation and Regulating Intraplaque Angiogenesis
Alwin de Jong, Thijs J Sluiter, Hendrika A B Peters, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Molecules (Basel, Switzerland)
|
July 29, 2023
Explaining Multiclass Compound Activity Predictions Using Counterfactuals and Shapley Values
Alec Lamens, Jürgen Bajorath
Journal of Cheminformatics
|
September 23, 2025
Contrastive explanations for machine learning predictions in chemistry
Alec Lamens, Jürgen Bajorath
RSC Medicinal Chemistry
|
May 24, 2024
Systematic generation and analysis of counterfactuals for compound activity predictions using multi-task models
Alec Lamens, Jürgen Bajorath
Chemical Science
|
January 14, 2026
Explainable artificial intelligence for molecular design in pharmaceutical research
Alec Lamens, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
January 17, 2025
Rationalizing Predictions of Isoform-Selective Phosphoinositide 3-Kinase Inhibitors Using MolAnchor Analysis
Alec Lamens, Jürgen Bajorath
Molecular Informatics
|
March 20, 2025
Comparing Explanations of Molecular Machine Learning Models Generated with Different Methods for the Calculation of Shapley Values
Alec Lamens, Jürgen Bajorath
Chemmedchem
|
November 20, 2023
Generation of Molecular Counterfactuals for Explainable Machine Learning Based on Core-Substituent Recombination
Alec Lamens, Jürgen Bajorath
Molecules (Basel, Switzerland)
|
January 21, 2023
Explaining Accurate Predictions of Multitarget Compounds with Machine Learning Models Derived for Individual Targets
Alec Lamens, Jürgen Bajorath
JACC. Basic to Translational Science
|
July 30, 2025
CD137 Signaling Modulates Vein Graft Atherosclerosis by Driving T-Cell Activation and Regulating Intraplaque Angiogenesis
Alwin de Jong, Thijs J Sluiter, Hendrika A B Peters, et al.
Page
of 1