强化学习设计钠通道阻断剂，LinkLlama生成连接臂

Peer-reviewed journal source; Core venue: Journal of Chemical Information; Code available on GitHub; Domain relevant (6 hits): drug discovery, molecular docking, molecular generation, de novo design; AIDD core boost (5 hits): drug discovery, molecular docking, lead optimization, hit identification; Priority topic: molecule design; Core AIDD task

Peer-reviewed journal source; Elite venue: Proceedings of the National Academy of Sciences of the United States of America; Domain relevant (2 hits): drug design, drug discovery; AIDD core boost (2 hits): drug design, drug discovery; Priority topic: molecule design; Core AIDD task

Preprint source; Top institution: UC Berkeley; Domain relevant (3 hits): drug discovery, molecular docking, scaffold hopping; AIDD core boost (3 hits): drug discovery, molecular docking, scaffold hopping; Priority topic: binding and screening; Core AIDD task

Peer-reviewed journal source; Core venue: Journal of Chemical Information; Domain relevant (2 hits): virtual screening, protein-ligand; AIDD core boost (2 hits): virtual screening, protein-ligand; Priority topic: binding and screening; Core AIDD task; Editorial cap: ACS title pattern looks like traditional medicinal chemistry rather than AI-native AIDD

Preprint source; Top institution: Zhejiang University; Domain relevant (1 hits): drug discovery; AIDD core boost (1 hits): drug discovery; Priority topic: structure modeling; Core AIDD task; Editorial cap: weaker preprint with limited AIDD signal defaults to candidate

Peer-reviewed journal source; Core venue: Journal of Chemical Information; Domain relevant (5 hits): drug discovery, protein-ligand, scaffold hopping, lead optimization; AIDD core boost (4 hits): drug discovery, lead optimization, protein-ligand, scaffold hopping; Priority topic: binding and screening; Core AIDD task; Editorial cap: ACS article lacks explicit AI-method signal

Peer-reviewed journal source; Domain relevant (2 hits): molecular docking, ADMET; AIDD core boost (2 hits): molecular docking, ADMET; Priority topic: binding and screening; Core AIDD task

Peer-reviewed journal source; Top institution: Zhejiang University; Elite venue: Proceedings of the National Academy of Sciences of the United States of America; Priority topic: structure modeling; Core AIDD task

Peer-reviewed journal source; Top institution: University of Illinois; Elite venue: Journal of the American Chemical Society

Peer-reviewed journal source; Domain relevant (1 hits): molecular docking; AIDD core boost (1 hits): molecular docking; Priority topic: binding and screening; Core AIDD task

Peer-reviewed journal source; Domain relevant (1 hits): molecular docking; AIDD core boost (1 hits): molecular docking; Priority topic: binding and screening; Core AIDD task

Peer-reviewed journal source; Elite venue: Journal of the American Chemical Society; Priority topic: structure modeling; Core AIDD task

Preprint source; Domain relevant (1 hits): binding affinity; AIDD core boost (1 hits): binding affinity; Priority topic: binding and screening; Core AIDD task; Editorial cap: preprint needs stronger score or institution signal for featured; Editorial cap: weaker preprint with limited AIDD signal defaults to candidate

Peer-reviewed journal source; Core venue: PLOS Computational Biology; Priority topic: omics and biomarkers; Foundation layer; Editorial cap: core venue article promoted to notable pending stronger editorial value

Peer-reviewed journal source; Core venue: Journal of Chemical Information; Editorial cap: core venue article promoted to notable pending stronger editorial value

Peer-reviewed journal source