Jiang, Dejun

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

Predicting novel targets with Bayesian machine learning by integrating multiple biological signatures

Wei, X., Zhu, T., Yip, H. F., Fu, X., Jiang, D., Deng, Y., Lu, A., & Cao, D. (2024) · Chemical Science

Computational Drug Discovery MethodsProtein Degradation and Inhibitors

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