8 results on '"Eva Nittinger"'
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2. Biomedical data analyses facilitated by open cheminformatics workflows.
3. Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantification.
4. Improving reproducibility and reusability in the Journal of Cheminformatics.
5. Transformer-based molecular optimization beyond matched molecular pairs.
6. Nonadditivity in public and inhouse data: implications for drug design.
7. Molecular optimization by capturing chemist's intuition using deep neural networks.
8. DockStream: a docking wrapper to enhance de novo molecular design.
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