Novel Big Data-Driven Machine Learning Models for Drug Discovery Application

Novel Big Data-Driven Machine Learning Models for Drug Discovery Application

Most contemporary drug discovery projects start with a ‘hit discovery’ phase where small chemicals are identified that have the capacity to interact, in a chemical sense, with a protein target involved in a given disease. To assist and accelerate this initial drug discovery process, ’virtual docking...

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Bibliographic Details
Main Authors: Vishnu Sripriya Akondi, Vineetha Menon, Jerome Baudry, Jana Whittle
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Molecules
Subjects:
drug discovery
class imbalance
machine learning
protein conformation selecton
drug candidates
ADORA2A
Online Access:https://www.mdpi.com/1420-3049/27/3/594

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https://www.mdpi.com/1420-3049/27/3/594

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