Geom-SAC: Geometric Multi-Discrete Soft Actor Critic With Applications in De Novo Drug Design

Geom-SAC: Geometric Multi-Discrete Soft Actor Critic With Applications in De Novo Drug Design

Finding new molecules with desirable properties has high computational and overhead costs. Much research has focused on generating candidate molecules in one- and two-dimensional spaces, which has produced some favorable results. However, extending these approaches to molecules in three-dimensional...

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Bibliographic Details
Main Authors: Amgad Abdallah, Nada Adel, A. M. Elkerdawy, Shihori Tanabe, Frederic Andres, Andreas Pester, Hesham H. Ali
Format: Article
Language:English
Published: IEEE 2024-01-01
Series:IEEE Access
Subjects:
Molecule generation
molecule optimization
geometric deep learning
reinforcement learning
de novo drug design
Online Access:https://ieeexplore.ieee.org/document/10472486/

Internet

https://ieeexplore.ieee.org/document/10472486/

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