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