eToxPred: a machine learning-based approach to estimate the toxicity of drug candidates

eToxPred: a machine learning-based approach to estimate the toxicity of drug candidates

Abstract Background The efficiency of drug development defined as a number of successfully launched new pharmaceuticals normalized by financial investments has significantly declined. Nonetheless, recent advances in high-throughput experimental techniques and computational modeling promise reduction...

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Bibliographic Details
Main Authors: Limeng Pu, Misagh Naderi, Tairan Liu, Hsiao-Chun Wu, Supratik Mukhopadhyay, Michal Brylinski
Format: Article
Language:English
Published: BMC 2019-01-01
Series:BMC Pharmacology and Toxicology
Subjects:
Virtual screening
Synthetic accessibility
Toxicity
Machine learning
Deep belief network
Extremely randomized trees
Online Access:http://link.springer.com/article/10.1186/s40360-018-0282-6

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