@article{katzberger_transferring_2025, title = {Transferring {Knowledge} from {MM} to {QM}: {A} {Graph} {Neural} {Network}-{Based} {Implicit} {Solvent} {Model} for {Small} {Organic} {Molecules}}, volume = {21}, copyright = {https://creativecommons.org/licenses/by/4.0/}, issn = {1549-9618, 1549-9626}, shorttitle = {Transferring {Knowledge} from {MM} to {QM}}, url = {https://pubs.acs.org/doi/10.1021/acs.jctc.5c00728}, doi = {10.1021/acs.jctc.5c00728}, language = {en}, number = {15}, urldate = {2025-08-14}, journal = {Journal of Chemical Theory and Computation}, author = {Katzberger, Paul and Pultar, Felix and Riniker, Sereina}, month = aug, year = {2025}, pages = {7450--7459}, }