Deep learning in chemistry AC Mater, ML Coote Journal of chemical information and modeling 59 (6), 2545-2559, 2019 | 519 | 2019 |
Effect of heteroatom and functionality substitution on the oxidation potential of cyclic nitroxide radicals: role of electrostatics in electrochemistry K Zhang, BB Noble, AC Mater, MJ Monteiro, ML Coote, Z Jia Physical Chemistry Chemical Physics 20 (4), 2606-2614, 2018 | 52 | 2018 |
The effects of Lewis acid complexation on type I radical photoinitiators and implications for pulsed laser polymerization BB Noble, AC Mater, LM Smith, ML Coote Polymer Chemistry 7 (41), 6400-6412, 2016 | 29 | 2016 |
The nk landscape as a versatile benchmark for machine learning driven protein engineering AC Mater, M Sandhu, C Jackson bioRxiv, 2020.09. 30.319780, 2020 | 5 | 2020 |
Leveraging ancestral sequence reconstruction for protein representation learning DM Matthews, MA Spence, AC Mater, J Nichols, SB Pulsford, M Sandhu, ... bioRxiv, 2023.12. 20.572683, 2023 | 2 | 2023 |
Machine Learning in Discrete Molecular Spaces AJLC Mater PQDT-Global, 2022 | | 2022 |
Explainable Molecular Sets: Using Information Theory to Generate Meaningful Descriptions of Groups of Molecules AC Mater, ML Coote Journal of Chemical Information and Modeling 61 (10), 4877-4889, 2021 | | 2021 |