Model for simulations of the CnEm nonionic surfactant family derived from recent experimental results
- William Swope
- Michael Johnston
- et al.
- 2022
- ACS Spring 2022
Conference paper
Publications
26877 results for Science
Improvements in accuracy of quantum algorithms for chemical systems, without additional cost
- Julia Rice
- Mario Motta
- et al.
- 2022
- ACS Spring 2022
Conference paperA facile and efficient approach to cyclic carbonate monomers for ring-opening polymerization
- 2022
- ACS Spring 2022
Conference paperEarly prediction of metastasis in women with locally advanced breast cancer
- Simona Rabinovici-Cohen
- Tal Tlusty
- et al.
- 2022
- SPIE Medical Imaging 2022
Conference paperMolecular quantum dynamics: a quantum computing perspective
- Pauline Jeanne Ollitrault
- Alexander Miessen
- et al.
- 2022
- ACS Spring 2022
Conference paperDevelopment 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
PosterMolecular transformer-aided biocatalysed synthesis planning
- Daniel Probst
- Matteo Manica
- et al.
- 2022
- ACS Spring 2022
PosterHuman-in-the-loop for a Disconnection Aware Retrosynthesis
- Andrea Antonia Byekwaso
- Alain Vaucher
- et al.
- 2022
- 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
Poster