Chen, Guangyong

Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models

Jiang, D., Wu, Z., Hsieh, C.-Y., Chen, G., Liao, B., Wang, Z., Shen, C., Cao, D., Wu, J., & Hou, T. (2021) · Journal of Cheminformatics

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 664

Could graph neural networks learn better molecular representation for drug discovery? a comparison study of descriptor-based and graph-based models

Jiang, D., Wu, Z., Hsieh, C.-Y., Chen, G., Liao, B., Wang, Z., Shen, C., Cao, D., Wu, J., & Hou, T. (2020) · Journal of Cheminformatics

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 664

Chemist-X: Large Language Model-empowered Agent for Reaction Condition Recommendation in Chemical Synthesis

Chen, K., Lu, J., Li, J., Yang, X., Du, Y., Wang, K., Shi, Q., Yu, J., Li, L., Qiu, J., et al. (2023) · arXiv

Machine Learning in Materials ScienceVarious Chemistry Research Topics

Cited by 10