Ruohao Fan

1. Molecular Lead Optimization via Agentic Tool Planning
   2026/05/21 by Lingxiao Li, Haobo Zhang, Ruohao Fan +2 · 1 voice
   Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Action (physics) #Computational Drug Discovery Methods #Key (lock) #Lead (geology) #Machine Learning in Bioinformatics #Machine Learning in Materials Science #Optimization problem #Process (computing) #Property (philosophy) #Selection (genetic algorithm) #TRACE (psycholinguistics) #cs.LG #q-bio.QM