Hello, welcome to my personal website. I go by Charles, I was born and raised in Shaanxi Province, China.

I am currently a postdoctoral researcher on machine learning in A/Prof Wujie’s Lab at department of Chemistry at NUS harnessing ML for the reaction prediction and retrosynthesis analysis, as well as developing the end-to-end automatic drug design, automatic synthesis, and automatic bio-screening drug discovery pipeline.

Previously, I was studying for a Ph.D. at Prof Chen’s lab the BIDD group, department of Pharmacy at NUS. During my Ph.D., I developed an unsupervised non-image data representation and deep learning toolbox, aggmap, to enhance the omics-based diease diagnosis and biomarker discovery. I also developed a molmap deep learning package for molecular data representation and pharmaceutical property prediction.

My research interests lie at the intersection of computer science, data science, healthcare and therapeutics: Developing novel methodologies for enhancing the learning of the high-dimensional biomedical data and using data-driven approaches to accerlate drug discovery process.

Latest News

  • 2022/07/20: Congratulations to Dr. Liu, Shao Lab’s Class of 2022 PhD graduates!

  • 2022/07/12: Today I successfully defended my thesis and earned my PhD! I’m supposed to feel proud of my accomplishment right now, but honestly I only feel humbled, grateful, and appreciative of all the help and support I’ve received along the way.

  • 2022/06/14: I was awarded two GOLD MEDALs, one 1st prize and one 2nd prize in the AI4Science hackathon for the good performance on the AI applications in Proteomics and Chemistry!

  • 2022/03/5: Our paper on AggMap based omics data learning has been reported by AI tech. medias such as: 机器之心, 智源社区, 腾讯云, chowdera, laitimes!

Research Highlights

  1. On going