@misc{indiciae77f17e73e885, title = {In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back}, author = {Aldossary, Abdulrahman [Univ. of Toronto, ON (Canada)] and Campos‐Gonzalez‐Angulo, Jorge Arturo [Univ. of Toronto, ON (Canada)] and Pablo‐García, Sergio [Univ. of Toronto, ON (Canada)] and Leong, Shi Xuan [Univ. of Toronto, ON (Canada)] and Rajaonson, Ella Miray [Univ. of Toronto, ON (Canada); Vector Institute for Artificial Intelligence, Toronto, ON (Canada)] and Thiede, Luca [Univ. of Toronto, ON (Canada); Vector Institute for Artificial Intelligence, Toronto, ON (Canada)] and Tom, Gary [Univ. of Toronto, ON (Canada); Vector Institute for Artificial Intelligence, Toronto, ON (Canada)] and Wang, Andrew [Univ. of Toronto, ON (Canada)] and Avagliano, Davide [Chimie ParisTech (France); PSL Univ., Paris (France); Centre National de la Recherche Scientifique (CNRS), Paris (France). Institute of Chemistry for Life and Health Sciences (iCLeHS)] (ORCID:0000000155399731) and Aspuru‐Guzik, Alán [Univ. of Toronto, ON (Canada); Vector Institute for Artificial Intelligence, Toronto, ON (Canada); Canadian Institute for Advanced Research (CIFAR), Toronto, ON (Canada); Acceleration Consortium, Toronto, ON (Canada)] (ORCID:0000000282774434)}, year = {2024}, doi = {10.1002/adma.202402369}, url = {https://www.osti.gov/biblio/2439792}, note = {Source identifier: 2439792} }