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Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routesOliver SchilterDaniel Pacheco Gutierrezet al.2024ACS Fall 2024
Multimodal foundation models for more reproducible scientific experimentation and data capturePatrick RuchGianmarco Gabrieliet al.2024Future Labs Live 2024
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Using Foundation Models to Promote Digitization and Reproducibility in Scientific ExperimentationAmol ThakkarAndrea Giovanniniet al.2023NeurIPS 2023
Unveiling the Secrets of 1H-NMR Spectroscopy: A Novel Approach Utilizing Attention MechanismsOliver SchilterMarvin Albertset al.2023NeurIPS 2023
Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer ModelsMarvin AlbertsFederico Zipoliet al.2023NeurIPS 2023
Enzeptional: enzyme optimization via a generative language modeling-based evolutionary algorithmYves Gaetan Nana TeukamFederico Zipoliet al.2023MRS Fall Meeting 2023
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