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AI-powered medicinal chemistry and translational drug development
6天前
已完结
FragOPT: An ML-Driven Computational Workflow for Rational Fragments Optimization Toward Lead Compounds
1个月前
已完结
Systematic Modeling of logD7.4 Based on Ensemble Machine Learning, Group Contribution and Matched Molecular Pair Analysis
1个月前
已完结
A client-enhanced language model for interactive compound optimization guided by explainable artificial intelligence
1个月前
已关闭
Democratising real-world drug discovery through agentic AI
3个月前
已完结
A Comprehensive Survey on Graph Neural Networks
3个月前
已完结
BB-SAR: An Application for Data-driven Analysis and Rational Design of Medicinal Chemistry Series
4个月前
已完结
Physicochemical graph neural network for learning protein–ligand interaction fingerprints from sequence data
4个月前
已完结
Deep Lead Optimization: Leveraging Generative AI for Structural Modification
4个月前
已完结
AI-Augmented R-Group Exploration in Medicinal Chemistry
4个月前
已完结
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