2 papers
q-bio.QM2018
Estimate the Warfarin Dose by Ensemble of Machine Learning Algorithms
Zhiyuan Ma, Ping Wang, Zehui Gao +2
Warfarin dosing remains challenging due to narrow therapeutic index and highly individual variability. Incorrect warfarin dosing is associated with devastating adverse events. Rema…
physics.chem-ph2018
Stacked Generalization Approach to Improve Prediction of Molecular Atomization Energies
Ruobing Wang
Machine learning holds the promise of learning the energy functional via examples, bypassing the need to solve complicated quantum-chemical equations and realizing efficient comput…