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42 积分 2025-12-16 加入
A machine-learning tool to predict substrate-adaptive conditions for Pd-catalyzed C–N couplings
13小时前
已完结
Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki–Miyaura cross-coupling reaction
5天前
已完结
Bioisosteres and Scaffold Hopping in Medicinal Chemistry
14天前
已完结
A comprehensive survey of AI-based retrosynthesis planning: Datasets, models, and tools
21天前
已完结
Large language models to accelerate organic chemistry synthesis
21天前
已完结
Bridging chemistry and artificial intelligence by a reaction description language
21天前
已完结
Transformer-based multitask learning for reaction prediction under low-resource circumstances
21天前
已完结
CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction
24天前
已完结
Direct Molecular Editing of Complex Molecules for Drug Discovery
27天前
已完结
Full Modification Control over Retrosynthetic Routes for Guided Optimization of Lead Structures
28天前
已完结
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