Xinhao Li
Senior Scientist II, In Silico Discovery at Johnson & Johnson Innovative Medicine
Rockville, Maryland, United States
Summary
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Senior🎓
Top SchoolXinhao Li is a Senior Scientist II in In Silico Discovery with a Ph.D. in Chemistry and eight years of experience applying machine learning and cheminformatics to drug discovery challenges. He specializes in QSAR modeling, molecular representation learning, and molecular generation, combining deep learning (PyTorch) and classical ML (Scikit-Learn, lightGBM) with strong Python and R programming skills. At Johnson & Johnson he progressed from Data Scientist to senior in-house computational lead, building production-ready models and chemical data pipelines informed by prior GSK internship work on transfer learning with LSTM and Transformer architectures. His academic work at NC State produced novel QSAR methods and open-source cheminformatics tools, reflecting a commitment to reproducible research and community tooling. Based in Rockville, MD, he blends theoretical rigor with practical model deployment, often focusing on data curation and visualization that improve downstream decision-making. An often-overlooked strength is his cross-domain fluency—able to translate synthetic chemistry intuition into machine-readable representations that boost predictive performance.
8 years of coding experience
4 years of employment as a software developer
PhD Chmeistry, PhD Chmeistry at North Carolina State UniversityMaster's degree Chemistry, Master's degree Chemistry at Beijing University of Chemical Technology
Github Skills (6)
encoding9
data-driven8
benchmarking4
molecule4
datasets4
machine-learning3
Programming languages (1)
Github contributions (5)
XinhaoLi74/DL-in-Chemistry
Jun 2019 - Dec 2019
Contributions:21 commits, 20 pushes, 1 branch in 5 months
XinhaoLi74/SmilesPE
Mar 2020 - Aug 2022
SMILES Pair Encoding: A data-driven substructure representation of chemicals
Contributions:21 commits, 20 pushes, 1 branch in 2 years 5 months
data-drivenrepresentationsmilessubstructurechemicals
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