Publications
Found 5 results
Filters: Author is Regina Barzilay [Clear All Filters]
GEOMOL: Torsional Geometric Generation of Molecular 3D Conformer Ensembles. Advances in Neural Information Processing Systems. 34
.
2021. Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis. Journal of Medicinal Chemistry. 63:8667–8682.
.
2020. A graph-convolutional neural network model for the prediction of chemical reactivity. Chem. Sci.. 10:370-377.
.
2019. Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction. Journal of Chemical Information & Modeling. 57:1757-1772.
.
2017. Prediction of organic reaction outcomes using machine learning. ACS Central Science. 3:434-443.
.
2017.