%0 Journal Article %1 gebhardt2020combining %A Gebhardt, Julia %A Kiesel, Matthias %A Riniker, Sereina %A Hansen, Niels %D 2020 %I ACS Publications %J Journal of chemical information and modeling %K %N 11 %P 5319-5330 %R 10.1021/acs.jcim.0c00479 %T Combining Molecular Dynamics and Machine Learning to Predict Self-Solvation Free Energies and Limiting Activity Coefficients %V 60

@article{gebhardt2020combining, added-at = {2023-08-19T11:55:28.000+0200}, affiliation = {Hansen, N (Corresponding Author), Univ Stuttgart, Inst Thermodynam & Thermal Proc Engn, D-70569 Stuttgart, Germany. Riniker, S (Corresponding Author), Swiss Fed Inst Technol, Lab Phys Chem, CH-8093 Zurich, Switzerland. Gebhardt, Julia; Kiesel, Matthias; Hansen, Niels, Univ Stuttgart, Inst Thermodynam & Thermal Proc Engn, D-70569 Stuttgart, Germany. Riniker, Sereina, Swiss Fed Inst Technol, Lab Phys Chem, CH-8093 Zurich, Switzerland.}, author = {Gebhardt, Julia and Kiesel, Matthias and Riniker, Sereina and Hansen, Niels}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2a9634f71be16a9a5b65ed86a2b2cdc3e/unibiblio}, doi = {10.1021/acs.jcim.0c00479}, interhash = {a022d0658806a9d896eef7dcd2cd4413}, intrahash = {a9634f71be16a9a5b65ed86a2b2cdc3e}, issn = {{1549-9596} and {1549-960X}}, journal = {Journal of chemical information and modeling}, keywords = {}, language = {eng}, number = 11, orcid-numbers = {Hansen, Niels/0000-0003-4366-6120}, pages = {5319-5330}, publisher = {ACS Publications}, research-areas = {Pharmacology & Pharmacy; Chemistry; Computer Science}, timestamp = {2023-08-19T09:55:28.000+0200}, title = {Combining Molecular Dynamics and Machine Learning to Predict Self-Solvation Free Energies and Limiting Activity Coefficients}, unique-id = {ISI:000595488600007}, volume = 60, year = 2020 }