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Chemistry YoDe-Segmentation: automated noise-free retrieval of molecular structures from scientific publications. November 21, 2023
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Bioinformatics | Chemoinformatics | Drug Discovery Training recurrent neural networks as generative neural networks for molecular structures; how does it impact drug discovery? October 10, 2022
Drug Development | Pharmacology Identifying the kind behind SMILES-anatomical therapeutic chemical classification using structure-only representations. August 26, 2022
Drug Discovery | Medicinal Chemistry | Pharmaceutical research Retro Drug Design: From Target Properties to Molecular Structures. June 2, 2022
Pharmaceutical research Retro Drug Design: From Target Properties to Molecular Structures. May 20, 2021
Chemistry | Computational Chemistry | Materials Science Energy-Geometry Dependency of Molecular Structures: A Multistep Machine Learning Approach. August 21, 2019