Shen, Chao

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

RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design

Wang, M., Hsieh, C.-Y., Wang, J., Wang, D., Weng, G., Shen, C., Yao, X., Bing, Z., Li, H., Cao, D., et al. (2022) · Journal of Medicinal Chemistry

Computational Drug Discovery MethodsMachine Learning in Materials Science

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