3 papers
cs.LG2026
Bridging the phenotype-target gap for molecular generation via multi-objective reinforcement learning
Haotian Guo, Hui Liu
The de novo generation of drug-like molecules capable of inducing desirable phenotypic changes is receiving increasing attention. However, previous methods predominantly rely on ex…
q-bio.BM2025
Phenotypic Profile-Informed Generation of Drug-Like Molecules via Dual-Channel Variational Autoencoders
Hui Liu, Shiye Tian, Xuejun Liu
The de novo generation of drug-like molecules capable of inducing desirable phenotypic changes is receiving increasing attention. However, previous methods predominantly rely on ex…
cs.LG2025
Learning Cross-Domain Representations for Transferable Drug Perturbations on Single-Cell Transcriptional Responses
Hui Liu, Shikai Jin
Phenotypic drug discovery has attracted widespread attention because of its potential to identify bioactive molecules. Transcriptomic profiling provides a comprehensive reflection…