Hello
Shunyang Wang is a computational chemistry scientist at Genentech with a passion for leveraging machine learning and data science to accelerate drug discovery. He is fascinated by building interpretable models that uncover and explain the underlying rules of nature. A firm believer in the power of science to make the world a better place, Shunyang enjoys reading, cooking, surfing, hiking, and soccer.
Download my resumé as a PDF.
Interests
- Metabolomics
- Quantum Chemistry
- Machine Learning
- Cheminformatics
- Drug Discovery
Experience
Machine Learning and Computational Chemistry Scientist
- Machine learning and computational chemistry for drug discovery
- Developing automation pipelines for molecular property prediction
- Leveraging quantum chemistry and cheminformatics to accelerate lead optimization
Scientist
- Computational metabolomics and data science for bioactive compound discovery
- Development of retention time prediction models using graph neural networks
- Annotation and curation of large-scale mass spectrometry databases
PhD Internship
- Retention time prediction by Graph Neural Network
- Internal annotation of millions spectra
- Heavy-hitters search engine on Pubmed/Pubchem and LOTUS
- Mentor: Dr. Xinhao Zhang
- Publication: Computational exploration of reactive fragment for mechanism-based inhibition of xanthine oxidase
Education
Ph.D. in Chemistry and Chemical Biology
- Mentors: Dr. Dean J. Tantillo, Dr. Tobias Kind, Dr. Oliver Fiehn
- Dissertation: Theoretical and experimental explorations on compound identification in metabolomics
- Development of high-resolution mass spectral library with electron and chemical ionization sources
- Advanced analytical chemistry and computational metabolomics research
B.S. in Applied Chemistry
- Mentors: Dr. Haibei Li, Dr. Ming Bai
- Thesis: Theoretical study on intermolecular interactions between polyfluorene, polythiophene, and single-walled carbon nanotubes
- Computational chemistry and materials science research