Interactive-quantum-chemical-descriptors enabling accurate prediction of an activation energy through machine learning
K. Mikami
Topics & Concepts
Quantum chemicalMoleculeSupramolecular chemistryIntermolecular forceSteric effectsQuantum chemistryPolymerChemistryChemical reactionComputer scienceComputational chemistryMaterials scienceChemical physicsNanotechnologyBiological systemOrganic chemistryBiologyMachine Learning in Materials ScienceComputational Drug Discovery MethodsProtein Structure and Dynamics