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Journal of Chemical Information and Modeling
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September 25, 2024
Deciphering Molecular Embeddings with Centered Kernel Alignment
Matthias Welsch, Steffen Hirte, Johannes Kirchmair
European Journal of Medicinal Chemistry
|
November 4, 2025
Trialblazer: A chemistry-focused predictor of toxicity risks in late-stage drug development
Huanni Zhang, Matthias Welsch, William Schueller, et al.
Journal of Chemical Information and Modeling
|
April 22, 2026
Relating Model Performance to Embedding Distributions in Molecular Machine Learning
Matthias Welsch, Ellena Jiang, Ioannis Papantonis, et al.
Journal of Cheminformatics
|
April 29, 2025
E-GuARD: expert-guided augmentation for the robust detection of compounds interfering with biological assays
Vincenzo Palmacci, Yasmine Nahal, Matthias Welsch, et al.
International Journal of Molecular Sciences
|
September 3, 2020
Enantiomerization of Axially Chiral Biphenyls: Polarizable MD Simulations in Water and Butylmethylether
Veronika Zeindlhofer, Phillip Hudson, Ádám Márk Pálvölgyi, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
September 25, 2024
Deciphering Molecular Embeddings with Centered Kernel Alignment
Matthias Welsch, Steffen Hirte, Johannes Kirchmair
European Journal of Medicinal Chemistry
|
November 4, 2025
Trialblazer: A chemistry-focused predictor of toxicity risks in late-stage drug development
Huanni Zhang, Matthias Welsch, William Schueller, et al.
Journal of Chemical Information and Modeling
|
April 22, 2026
Relating Model Performance to Embedding Distributions in Molecular Machine Learning
Matthias Welsch, Ellena Jiang, Ioannis Papantonis, et al.
Journal of Cheminformatics
|
April 29, 2025
E-GuARD: expert-guided augmentation for the robust detection of compounds interfering with biological assays
Vincenzo Palmacci, Yasmine Nahal, Matthias Welsch, et al.
International Journal of Molecular Sciences
|
September 3, 2020
Enantiomerization of Axially Chiral Biphenyls: Polarizable MD Simulations in Water and Butylmethylether
Veronika Zeindlhofer, Phillip Hudson, Ádám Márk Pálvölgyi, et al.
Page
of 1