Pubblicazioni

Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting

2024 - NATURE COMMUNICATIONS
Buterez, D.; Janet, J. P.; Kiddle, S. J.; Oglic, D.; Lio, P.

On synergy between ultrahigh throughput screening and machine learning in biocatalyst engineering

2024 - FARADAY DISCUSSIONS
Gantz, M.; Mathis, S. V.; Nintzel, F. E. H.; Lio, P.; Hollfelder, F.

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