hERG-toxicity prediction using traditional machine learning and advanced deep learning techniques

hERG-toxicity prediction using traditional machine learning and advanced deep learning techniques

The rise of artificial intelligence (AI) based algorithms has gained a lot of interest in the pharmaceutical development field. Our study demonstrates utilization of traditional machine learning techniques such as random forest (RF), support-vector machine (SVM), extreme gradient boosting (XGBoost),...

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Bibliographic Details
Main Authors: Erik Ylipää, Swapnil Chavan, Maria Bånkestad, Johan Broberg, Björn Glinghammar, Ulf Norinder, Ian Cotgreave
Format: Article
Language:English
Published: Elsevier 2023-01-01
Series:Current Research in Toxicology
Subjects:
Deep Learning
Graph-neural Network
hERG Channel
Random Forest
Recurrent-neural Network
Support-vector Machines
Online Access:http://www.sciencedirect.com/science/article/pii/S2666027X23000191

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http://www.sciencedirect.com/science/article/pii/S2666027X23000191

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