Suchergebnisse - "Bajorath, Jürgen"

PubPharm (1.093)

1

Data-oriented protein kinase drug discovery

enthalten in: European journal of medicinal chemistry | 2024

von Xerxa, E. | Bajorath, J.

2

Protocol to explain support vector machine predictions via exact Shapley value computation

enthalten in: STAR protocols | 2024

von Mastropietro, A. | Bajorath, J.

3

Relationship between prediction accuracy and uncertainty in compound potency prediction using deep neural networks and control models

enthalten in: Scientific reports | 2024

von Roth, J. | Bajorath, J.

4

Comprehensive Data-Driven Assessment of Non-Kinase Targets of Inhibitors of the Human Kinome

enthalten in: Biomolecules | 2024

von Mobasher, M. | Vogt, M. | Xerxa, E. | +1

5

Generation of Molecular Counterfactuals for Explainable Machine Learning Based on Core-Substituent Recombination

enthalten in: ChemMedChem | 2024

von Lamens, A. | Bajorath, J.

6

Chemical language models for molecular design

enthalten in: Molecular informatics | 2024

von Bajorath, J.

7

Chemical language models for molecular design

enthalten in: Molecular Informatics | 2024

von Bajorath, J.

8

Anatomy of Potency Predictions Focusing on Structural Analogues with Increasing Potency Differences Including Activity Cliffs

enthalten in: Journal of chemical information and modeling | 2023

von Janela, T. | Bajorath, J.

9

Calculation of exact Shapley values for explaining support vector machine models using the radial basis function kernel

enthalten in: Scientific reports | 2023

von Mastropietro, A. | Feldmann, C. | Bajorath, J.

10

Data sets of human and mouse protein kinase inhibitors with curated activity data including covalent inhibitors

enthalten in: Future science OA | 2023

von Xerxa, E. | Bajorath, J.

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