Hybrid quantum-classical machine learning for generative chemistry and drug design

Abstract Deep generative chemistry models emerge as powerful tools to expedite drug discovery. However, the immense size and complexity of the structural space of all possible drug-like molecules pose significant obstacles, which could be overcome with hybrid architectures combining quantum computer...

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Bibliographic Details
Main Authors: A. I. Gircha, A. S. Boev, K. Avchaciov, P. O. Fedichev, A. K. Fedorov
Format: Article
Language:English
Published: Nature Portfolio 2023-05-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-023-32703-4