(1) 基于人工智能的先导化合物发现
(2) 基于计算机辅助药物设计的先导化合物发现
(3) 针对重大疾病的创新药物的发现

1、科研项目
（1）科技部, 国家重点研发计划重大专项项目，2018YFC0311004，海洋微生物先导物的规模化制备及关键技术研究，2018-08 至 2021-12，37.33万元，已结题，子课题负责人
（2）国家自然科学基金委员会，面上项目，81573348，RpsA作为抗耐药结核杆菌药靶有效性确认及活性化合物发现，2016-01-01 至 2019-12-30，68万元，已结题，主持

1.Huang, B.; Bai, Z.; Ye, X.; Zhou, C.; Xie, X.; Zhong, Y.; Lin, K.; Ma, L., Structural analysis and binding sites of inhibitors targeting the CD47/SIRPα interaction in anticancer therapy. Computational and Structural Biotechnology Journal 2021, 19, 5494-5503. IF: 7.271
2.Shan, W.; Li, X.; Yao, H.; Lin, K., Convolutional Neural Network based Virtual Screening. Curr. Med. Chem. 2021, 28 (10), 2033-2047. IF: 4.503
3.Li, X.; Ding, Z.; Wu, Z.; Xu, Y.; Yao, H.; Lin, K., Targeting the TGF-beta signaling pathway for fibrosis therapy: a patent review (2015-2020). Expert Opin Ther Pat 2021, 31 (8), 723. IF: 6.674
4.Zhang, T.; Huang, F.; Li, B.; Huang, C.; Xu, C.; Lin, K.; Lin, D., NMR-based metabolomic analysis for the effects of Huiyang Shengji extract on rat diabetic skin ulcers. J. Ethnopharmacol. 2020, 261, 112978. IF：4.360
5.Yi, S.; Lin, K.; Jiang, T.; Shao, W.; Huang, C.; Jiang, B.; Li, Q.; Lin, D., NMR-based metabonomic analysis of HUVEC cells during replicative senescence. Aging (Albany NY) 2020, 12 (4), 3626-3646. IF: 4.831
6.Li, X.; Xu, Y.; Yao, H.; Lin, K., Chemical Space Exploration Based on Recurrent Neural Networks: Applications in Discovering Kinase Inhibitors. Journal of Cheminformatics 2020, 12 (42), 1-13. IF: 5.514
7.1. Dai, Y.; Xu, Y.; Guo, C.; Xue, X.; Lin, D.; Lin, K., Discovery and evaluation of new compounds targeting ribosomal protein S1 in antibiotic-resistant Mycobacterium Tuberculosis. Eur. J. Med. Chem. 2020, 196, 112317. IF: 6.514
8.Chen, P.; Xu, Y.; Li, X.; Yao, H.; Lin, K., Development and strategies of CDK4/6 inhibitors. Future Med Chem 2020, 12 (2), 127-145. IF：3.808
9. Zhong, Y.; Li, X.; Zhu, D.; Zhao, N.; Yao, H.; Lin, K., Characteristics of parathyroid hormone-1 receptor agonists and antagonists. Future Medicinal Chemistry 2019, 11 (8), 817-831. IF: 3.609
10.Zhong, Y.; Li, X.; Yao, H.; Lin, K., The Characteristics of PD-L1 Inhibitors, from Peptides to Small Molecules. Molecules 2019, 24 (10), 1940. IF: 3.351
11.Zhi, Y.; Dai, Y.; Yang, J.; Tan, S.; Lin, D.; Lin, K., Lead compounds and key residues of ribosomal protein S1 in drug-resistant Mycobacterium tuberculosis. Bioorg. Chem. 2019, 82, 58-67. IF: 4.831
Xu, Y.; Chen, P.; Lin, X.; Yao, H.; Lin, K., Discovery of CDK4 inhibitors by convolutional neural networks. Future Medicinal Chemistry 2019, 11 (3), 165-177.