DOI: 10.1039/d6cp03204d ISSN: 1463-9076

DRAGON-3D: an electron-density-aware generative model for dual-target drug molecule generation

Zhong-Xing Zhou, Hong-Xing Zhang, Shi Feng, Yan Zhao, Zhen-Yang Liu, Jun-Bao Huang, Qingchuan Zheng

DRAGON-3D is a general dual-target drug molecule generation model based on latent-space fusion of 3D electron-density.

More from our Archive