3 citations · 8 across the 3 of their papers we have counts for
3 papers
q-bio.BM2024★ 2 cited
Token-Mol 1.0: Tokenized drug design with large language model
Jike Wang, Rui Qin, Mingyang Wang +17
Significant interests have recently risen in leveraging sequence-based large language models (LLMs) for drug design. However, most current applications of LLMs in drug discovery la…
physics.chem-ph2024★ 3 cited
Deep Geometry Handling and Fragment-wise Molecular 3D Graph Generation
Odin Zhang, Yufei Huang, Shichen Cheng +14
Most earlier 3D structure-based molecular generation approaches follow an atom-wise paradigm, incrementally adding atoms to a partially built molecular fragment within protein pock…
q-bio.BM2023★ 3 cited
Delete: Deep Lead Optimization Enveloped in Protein Pocket through Unified Deleting Strategies and a Structure-aware Network
Haotian Zhang, Huifeng Zhao, Xujun Zhang +10
Drug discovery is a highly complicated process, and it is unfeasible to fully commit it to the recently developed molecular generation methods. Deep learning-based lead optimizatio…