activity
20172026
most citedLearning to design drug-like molecules in three-dimensional space using deep generative models

184 citations · 249 across the 10 of their papers we have counts for

collaborators
Showing 2022Show all

2 papers · 1 filter

q-bio.QM2022★ 8 cited

Synthesis-driven design of 3D molecules for structure-based drug discovery using geometric transformers

Yibo Li, Jianfeng Pei, Luhua Lai

Finding drug-like compounds with high bioactivity is essential for drug discovery, but the task is complicated by the high cost of chemical synthesis and validation. With their out…

cs.CV2022

MolMiner: You only look once for chemical structure recognition

Youjun Xu, Jinchuan Xiao, Chia-Han Chou +13

Molecular structures are always depicted as 2D printed form in scientific documents like journal papers and patents. However, these 2D depictions are not machine-readable. Due to a…