Transfer learning for solvation free energies: From quantum chemistry to experiments
Florence H. Vermeire, William H. Green
Topics & Concepts
SolvationChemistryQuantum chemistryQuantumChemical physicsQuantum chemicalComputational chemistryStatistical physicsQuantum mechanicsPhysicsOrganic chemistrySupramolecular chemistryMoleculeMachine Learning in Materials ScienceSpectroscopy and Quantum Chemical StudiesComputational Drug Discovery Methods