A Systematic Evaluation of Molecule Generation Models for De Novo Drug Design: From Benchmarks to Practical Insights
A comprehensive evaluation of molecule generation models for de novo drug design, covering 82 methods across five deep generative frameworks, including recurrent neural network (RNN)- and transformer-based models, variational autoencoders (VAEs), generative adversarial networks (GANs), flow-based models, and diffusion...
Xin-Rui Xu, Xue-Er Wang, Dan Luo et al.
· Journal of Chemical Informat... · 0 citations