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Iscience
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September 15, 2022
Calculation of exact Shapley values for support vector machines with Tanimoto kernel enables model interpretation
Christian Feldmann, Jürgen Bajorath
Scientific Reports
|
April 13, 2021
Machine learning reveals that structural features distinguishing promiscuous and non-promiscuous compounds depend on target combinations
Christian Feldmann, Jürgen Bajorath
Molecular Informatics
|
August 24, 2022
Advances in Computational Polypharmacology
Christian Feldmann, Jürgen Bajorath
International Journal of Molecular Sciences
|
May 31, 2020
X-ray Structure-Based Chemoinformatic Analysis Identifies Promiscuous Ligands Binding to Proteins from Different Classes with Varying Shapes
Christian Feldmann, Jürgen Bajorath
Molecules (Basel, Switzerland)
|
February 16, 2020
Biological Activity Profiles of Multitarget Ligands from X-ray Structures
Christian Feldmann, Jürgen Bajorath
Biomolecules
|
April 23, 2022
Differentiating Inhibitors of Closely Related Protein Kinases with Single- or Multi-Target Activity via Explainable Machine Learning and Feature Analysis
Christian Feldmann, Jürgen Bajorath
Biomolecules
|
December 2, 2020
Analysis of Biological Screening Compounds with Single- or Multi-Target Activity via Diagnostic Machine Learning
Christian Feldmann, Dimitar Yonchev, Jürgen Bajorath
Scientific Reports
|
November 4, 2021
Explainable machine learning predictions of dual-target compounds reveal characteristic structural features
Christian Feldmann, Maren Philipps, Jürgen Bajorath
Future Science OA
|
May 28, 2021
Structured data sets of compounds with multi-target and corresponding single-target activity from biological assays
Christian Feldmann, Dimitar Yonchev, Jürgen Bajorath
Molecular Informatics
|
September 4, 2020
Prediction of Promiscuity Cliffs Using Machine Learning
Thomas Blaschke, Christian Feldmann, Jürgen Bajorath
Page
of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Iscience
|
September 15, 2022
Calculation of exact Shapley values for support vector machines with Tanimoto kernel enables model interpretation
Christian Feldmann, Jürgen Bajorath
Scientific Reports
|
April 13, 2021
Machine learning reveals that structural features distinguishing promiscuous and non-promiscuous compounds depend on target combinations
Christian Feldmann, Jürgen Bajorath
Molecular Informatics
|
August 24, 2022
Advances in Computational Polypharmacology
Christian Feldmann, Jürgen Bajorath
International Journal of Molecular Sciences
|
May 31, 2020
X-ray Structure-Based Chemoinformatic Analysis Identifies Promiscuous Ligands Binding to Proteins from Different Classes with Varying Shapes
Christian Feldmann, Jürgen Bajorath
Molecules (Basel, Switzerland)
|
February 16, 2020
Biological Activity Profiles of Multitarget Ligands from X-ray Structures
Christian Feldmann, Jürgen Bajorath
Biomolecules
|
April 23, 2022
Differentiating Inhibitors of Closely Related Protein Kinases with Single- or Multi-Target Activity via Explainable Machine Learning and Feature Analysis
Christian Feldmann, Jürgen Bajorath
Biomolecules
|
December 2, 2020
Analysis of Biological Screening Compounds with Single- or Multi-Target Activity via Diagnostic Machine Learning
Christian Feldmann, Dimitar Yonchev, Jürgen Bajorath
Scientific Reports
|
November 4, 2021
Explainable machine learning predictions of dual-target compounds reveal characteristic structural features
Christian Feldmann, Maren Philipps, Jürgen Bajorath
Future Science OA
|
May 28, 2021
Structured data sets of compounds with multi-target and corresponding single-target activity from biological assays
Christian Feldmann, Dimitar Yonchev, Jürgen Bajorath
Molecular Informatics
|
September 4, 2020
Prediction of Promiscuity Cliffs Using Machine Learning
Thomas Blaschke, Christian Feldmann, Jürgen Bajorath
Page
of 2