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- et al.
- 2022
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Conference paper
Publications
26915 results for Science
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- 2022
- ACS Spring 2022
Conference paperMolecular transformer-aided biocatalysed synthesis planning
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- ACS Spring 2022
PosterDevelopment and use of a software platform applied towards the automated synthesis of carbonate monomers and machine learning applications
- Pedro Arrechea
- James Hedrick
- et al.
- 2022
- ACS Spring 2022
PosterHuman-in-the-loop for a Disconnection Aware Retrosynthesis
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- Alain Vaucher
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- ACS Spring 2022
Conference paperIdentification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- ACS Spring 2022
Conference paperActive site sequence representation of human kinases outperforms full sequence for affinity prediction and inhibitor generation: 3D effects in a 1D model
- Jannis Born
- Tien Huynh
- et al.
- 2022
- ACS Spring 2022
PosterSignatures of sluggish dynamics and local structural ordering during ice nucleation
- Fausto Martelli
- Jeremy Palmer
- 2022
- The Journal of Chemical Physics
Paper3 + 3 makes the ring
- Diego Peña
- Leo Gross
- 2022
- Nat. Synth.
Paper