Lv11
56 积分 2026-03-30 加入
MolDecor: Leveraging Transformers to Decorate Bioactive Molecules for Property Optimization
2小时前
待确认
Evolutionary Multiobjective Molecule Optimization in an Implicit Chemical Space
18天前
已完结
AI-powered medicinal chemistry and translational drug development
2个月前
已完结
FragOPT: An ML-Driven Computational Workflow for Rational Fragments Optimization Toward Lead Compounds
3个月前
已完结
Systematic Modeling of logD7.4 Based on Ensemble Machine Learning, Group Contribution and Matched Molecular Pair Analysis
3个月前
已完结
A client-enhanced language model for interactive compound optimization guided by explainable artificial intelligence
3个月前
已关闭
Democratising real-world drug discovery through agentic AI
5个月前
已完结
A Comprehensive Survey on Graph Neural Networks
5个月前
已完结
BB-SAR: An Application for Data-driven Analysis and Rational Design of Medicinal Chemistry Series
6个月前
已完结
Physicochemical graph neural network for learning protein–ligand interaction fingerprints from sequence data
6个月前
已完结
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