Lv41
782 积分 2023-09-04 加入
Advancing chemical reaction prediction in data-scarce drug discovery with active and geometric deep learning
3小时前
已完结
Electron flow matching for generative reaction mechanism prediction obeying conservation laws
9天前
已完结
SynCraft: Guiding Large Language Models to Predict Edit Sequences for Molecular Synthesizability Optimization
13天前
已完结
Pushing the limits of one-dimensional NMR spectroscopy for automated structure elucidation using artificial intelligence
19天前
已完结
Advances in the Application of Artificial Intelligence-Based Spectral Data Interpretation: A Perspective
25天前
已完结
Conditional Molecular Generation Net Enables Automated Structure Elucidation Based on 13C NMR Spectra and Prior Knowledge
25天前
已完结
Cross-Modal Retrieval Between 13C NMR Spectra and Structures Based on Focused Libraries
25天前
已完结
NMRMind: A Transformer-Based Model Enabling the Elucidation from Multidimensional NMR to Structures
25天前
已完结
Repairing Noise-Contaminated Low-Frequency Vibrational Spectra with an Attention U-Net
25天前
已完结
Cross-Modal Prediction of Spectral and Structural Descriptors via a Pretrained Model Enhanced with Chemical Insights
25天前
已完结
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