BioinformaticsbioRxivPreprint
Benchmarking Real-World Applicability of Molecular Generative Models from De novo Design to Lead Optimization with MolGenBench
Duanhua Cao, Zhehuan Fan, Jie Yu…·Mingyue Zheng
This paper introduces MolGenBench, a benchmark for evaluating molecular generative models in drug discovery, highlighting gaps between current models and real-world pharmaceutical workflows.
2 citations