Neural Networks in the Design of Molecules with Affinity to Selected Protein Domains

Neural Networks in the Design of Molecules with Affinity to Selected Protein Domains

Drug design with machine learning support can speed up new drug discoveries. While current databases of known compounds are smaller in magnitude (approximately <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msup&...

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Bibliographic Details
Main Authors: Damian Nowak, Rafał Adam Bachorz, Marcin Hoffmann
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:International Journal of Molecular Sciences
Subjects:
machine learning
neural networks
molecular docking
RORγ
drug design
SELFIES
Online Access:https://www.mdpi.com/1422-0067/24/2/1762

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