Search Results for author: Yunrui Li

Found 3 papers, 1 papers with code

Solvent-Aware 2D NMR Prediction: Leveraging Multi-Tasking Training and Iterative Self-Training Strategies

no code implementations17 Mar 2024 Yunrui Li, Hao Xu, Pengyu Hong

Although significant progresses have been made in predicting one-dimensional (1D) NMR, two-dimensional (2D) NMR prediction via ML remains a challenge due to the lack of annotated NMR training datasets.

Asymmetric Contrastive Multimodal Learning for Advancing Chemical Understanding

no code implementations11 Nov 2023 Hao Xu, Yifei Wang, Yunrui Li, Pengyu Hong

Through practical tasks such as isomer discrimination and uncovering crucial chemical properties for drug discovery, ACML exhibits its capability to revolutionize chemical research and applications, providing a deeper understanding of chemical semantics of different modalities.

Contrastive Learning Drug Discovery +2

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