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Steffen Hirte

Showing results (1-10 of 10) with videos related to

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Journal of Chemical Information and Modeling|September 25, 2024
Deciphering Molecular Embeddings with Centered Kernel AlignmentMatthias Welsch, Steffen Hirte, Johannes Kirchmair
International Journal of Molecular Sciences|July 27, 2022
Maximizing the Performance of Similarity-Based Virtual Screening Methods by Generating Synergy from the Integration of 2D and 3D ApproachesNingning Fan, Steffen Hirte, Johannes Kirchmair
Journal of Chemical Information and Modeling|May 13, 2024
Quantifying the Hardness of Bioactivity Prediction Tasks for Transfer LearningHosein Fooladi, Steffen Hirte, Johannes Kirchmair
Natural Product Reports|June 16, 2022
Ring systems in natural products: structural diversity, physicochemical properties, and coverage by synthetic compoundsYa Chen, Cara Rosenkranz, Steffen Hirte, et al.
Biomolecules|January 27, 2019
NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small MoleculesYa Chen, Conrad Stork, Steffen Hirte, et al.
Nature Reviews. Chemistry|April 15, 2024
Tackling assay interference associated with small moleculesLu Tan, Steffen Hirte, Vincenzo Palmacci, et al.
Cells|April 23, 2022
Development and Experimental Validation of Regularized Machine Learning Models Detecting New, Structurally Distinct Activators of PXRSteffen Hirte, Oliver Burk, Ammar Tahir, et al.
Pharmaceuticals (Basel, Switzerland)|August 28, 2021
Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful DescriptorsAnke Wilm, Marina Garcia de Lomana, Conrad Stork, et al.
Journal of Chemical Information and Modeling|January 3, 2024
Active Learning Approach for Guiding Site-of-Metabolism Measurement and AnnotationYa Chen, Thomas Seidel, Roxane Axel Jacob, et al.
ACS Nano|July 10, 2024
Using the High-Entropy Approach to Obtain Multimetal Oxide Nanozymes: Library Synthesis, <i>In Silico</i> Structure-Activity, and Immunoassay PerformanceThuong Phan-Xuan, Simon Schweidler, Steffen Hirte, et al.
Pageof 1

Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
Journal of Chemical Information and Modeling|September 25, 2024
Deciphering Molecular Embeddings with Centered Kernel AlignmentMatthias Welsch, Steffen Hirte, Johannes Kirchmair
International Journal of Molecular Sciences|July 27, 2022
Maximizing the Performance of Similarity-Based Virtual Screening Methods by Generating Synergy from the Integration of 2D and 3D ApproachesNingning Fan, Steffen Hirte, Johannes Kirchmair
Journal of Chemical Information and Modeling|May 13, 2024
Quantifying the Hardness of Bioactivity Prediction Tasks for Transfer LearningHosein Fooladi, Steffen Hirte, Johannes Kirchmair
Natural Product Reports|June 16, 2022
Ring systems in natural products: structural diversity, physicochemical properties, and coverage by synthetic compoundsYa Chen, Cara Rosenkranz, Steffen Hirte, et al.
Biomolecules|January 27, 2019
NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small MoleculesYa Chen, Conrad Stork, Steffen Hirte, et al.
Nature Reviews. Chemistry|April 15, 2024
Tackling assay interference associated with small moleculesLu Tan, Steffen Hirte, Vincenzo Palmacci, et al.
Cells|April 23, 2022
Development and Experimental Validation of Regularized Machine Learning Models Detecting New, Structurally Distinct Activators of PXRSteffen Hirte, Oliver Burk, Ammar Tahir, et al.
Pharmaceuticals (Basel, Switzerland)|August 28, 2021
Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful DescriptorsAnke Wilm, Marina Garcia de Lomana, Conrad Stork, et al.
Journal of Chemical Information and Modeling|January 3, 2024
Active Learning Approach for Guiding Site-of-Metabolism Measurement and AnnotationYa Chen, Thomas Seidel, Roxane Axel Jacob, et al.
ACS Nano|July 10, 2024
Using the High-Entropy Approach to Obtain Multimetal Oxide Nanozymes: Library Synthesis, <i>In Silico</i> Structure-Activity, and Immunoassay PerformanceThuong Phan-Xuan, Simon Schweidler, Steffen Hirte, et al.
Pageof 1