ContraDRG: Automatic Partial Charge Prediction by Machine Learning

In recent years, machine learning techniques have been widely used in biomedical research to predict unseen data based on models trained on experimentally derived data. In the current study, we used machine learning algorithms to emulate computationally complex predictions in a reverse engineering–l...

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Bibliographic Details
Main Authors: Roman Martin, Dominik Heider
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-10-01
Series:Frontiers in Genetics
Subjects:
ATB
Online Access:https://www.frontiersin.org/article/10.3389/fgene.2019.00990/full