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2614 积分 2022-11-01 加入
Leveraging Data Science to Elucidate Ligand Features for Pd-Catalyzed Enantioretentive N-Arylations of Cyclic α-Substituted Amines in Aqueous Media
1小时前
待确认
RxnCluster: A Web-Based Tool for Exploring Reaction Clusters Leading to Target Molecules by Digitalizing Typical Biosynthetic Patterns
1小时前
待确认
MHGCL: A multi-modal hypergraph contrastive learning framework for molecular property prediction
1小时前
待确认
Inter‐Hammett: Enhancing Interpretability in Hammett‘s Constant Prediction via Extracting Rules
1小时前
待确认
Use of Large Language Models for Extracting and Analyzing Data from Heterogeneous Catalysis Literature
1小时前
待确认
LLM-enhanced Multi-level Knowledge Distillation for Molecular Property Prediction
2小时前
求助中
Catalysis-Mediated, Ion-Size Modulation-Driven Separation of Transition Metal Complexes
2小时前
待确认
Fragment-Driven Progressive Alternating Diffusion for De Novo Molecular Design
2小时前
待确认
Chemical Bonds Containing Hydrogen: Choices for Hydrogen Carriers and Catalysts
19天前
已完结
Mechanistic Exploration and Kinetic Modeling Through In Silico Data Generation and Probabilistic Machine Learning Analysis
19天前
已完结
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