GLDM: hit molecule generation with constrained graph latent diffusion model

GLDM: hit molecule generation with constrained graph latent diffusion model

Discovering hit molecules with desired biological activity in a directed manner is a promising but profound task in computer-aided drug discovery. Inspired by recent generative AI approaches, particularly Diffusion Models (DM), we propose Graph Latent Diffusion Model (GLDM)-a latent DM that preserve...

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Bibliographic Details
Main Authors: Wang, Conghao, Ong, Hiok Hian, Chiba, Shunsuke, Rajapakse, Jagath Chandana
Other Authors: School of Computer Science and Engineering
Format: Journal Article
Language:English
Published: 2024
Subjects:
Computer and Information Science
Deep generative models
Diffusion Models
Online Access:https://hdl.handle.net/10356/179434

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