Cao, Dongsheng

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

A unified drug–target interaction prediction framework based on knowledge graph and recommendation system

Ye, Q., Hsieh, C.-Y., Yang, Z., Kang, Y., Chen, J., Cao, D., He, S., & Hou, T. (2021) · Nature Communications

Computational Drug Discovery MethodsRecommender Systems and Techniques

Cited by 261

PROTAC-DB: an online database of PROTACs

Weng, G., Shen, C., Cao, D., Gao, J., Dong, X., He, Q., Yang, B., Li, D., Wu, J., & Hou, T. (2021) · Nucleic Acids Research

Protein Degradation and InhibitorsComputational Drug Discovery Methods

Cited by 219

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

Cited by 99

Artificial intelligence facilitates drug design in the big data era

Wang, L., Ding, J., Pan, L., Cao, D., Jiang, H., & Ding, X. (2019) · Chemometrics and Intelligent Laboratory Systems

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 80

Combined treatment of mitoxantrone sensitizes breast cancer cells to rapalogs through blocking eEF-2K-mediated activation of Akt and autophagy

Guan, Y., Jiang, S., Ye, W., Ren, X., Wang, X., Zhang, Y., Yin, M., Wang, K., Tao, Y., Yang, J., et al. (2020) · Cell Death & Disease

PI3K/AKT/mTOR signaling in cancerAutophagy in Disease and Therapy

Cited by 34

Harnessing artificial intelligence to identify Bufalin as a molecular glue degrader of estrogen receptor alpha

Jiang, S., Liu, K., Jiang, T., Li, H., Wei, X., Wan, X., Zhong, C., Gong, R., Chen, Z., Zou, C., et al. (2025) · Nature Communications

Protein Degradation and InhibitorsComputational Drug Discovery Methods

Cited by 23

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

Cited by 4