Suchergebnisse - "Bajorath, Jürgen"

PubPharm (67)

1

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

2

Comprehensive analysis of R-groups in medicinal chemistry

enthalten in: Future medicinal chemistry | 2022

von Bajorath, J.

3

Systematic mapping of R-group space enables the generation of an R-group replacement system for medicinal chemistry

enthalten in: European journal of medicinal chemistry | 2021

von Takeuchi, K. | Kunimoto, R. | Bajorath, J.

4

The SAR Matrix Method and an Artificially Intelligent Variant for the Identification and Structural Organization of Analog Series, SAR Analysis, and Compound Design

enthalten in: Molecular informatics | 2020

von Yoshimori, A. | Bajorath, J.

5

DeepCOMO : from structure-activity relationship diagnostics to generative molecular design using the compound optimization monitor methodology

enthalten in: Journal of computer-aided molecular design | 2020

von Yonchev, D. | Bajorath, J.

6

Global Assessment of Substituents on the Basis of Analogue Series

enthalten in: Journal of medicinal chemistry | 2020

von Takeuchi, K. | Kunimoto, R. | Bajorath, J.

7

Analysis of Biological Screening Compounds with Single- or Multi-Target Activity via Diagnostic Machine Learning

enthalten in: Biomolecules | 2020

von Feldmann, C. | Yonchev, D. | Bajorath, J.

8

Interpretation of machine learning models using shapley values : application to compound potency and multi-target activity predictions

enthalten in: Journal of computer-aided molecular design | 2020

von Rodríguez-Pérez, R. | Bajorath, J.

9

Advances in exploring activity cliffs

enthalten in: Journal of computer-aided molecular design | 2020

von Stumpfe, D. | Hu, H. | Bajorath, J.

10

Simplified activity cliff network representations with high interpretability and immediate access to SAR information

enthalten in: Journal of computer-aided molecular design | 2020

von Hu, H. | Bajorath, J.

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