LabCompass

Youchao Deng

Computer Science · Purdue University West Lafayette

OpenAlex ORCID
Mid career · publishing since 2007Rising activity
Computational Drug Discovery MethodsCancer-related gene regulationMicrobial Natural Products and BiosynthesisPeptidase Inhibition and AnalysisEpigenetics and DNA Methylation

Publications

65

Citations

1,556

Est. group size

~3

Recurring co-author estimate

Active years

20

Publishing since 2007

Research summary
AI-generated

Youchao Deng works at the intersection of computer science and drug discovery, developing machine learning and deep learning methods to predict toxicity, metabolism, and other drug-related properties from chemical structure data. Recent work includes tools for identifying toxic chemical substructures, predicting nephrotoxicity and adverse drug reactions, and improving molecular docking and drug repositioning using AI methods. This research is aimed at helping computationally screen and evaluate drug candidates before costly lab testing.

Machine learning for drug discoveryToxicity and adverse drug reaction predictionMolecular docking and drug metabolism modelingCheminformatics and structural alert detectionDrug repositioning

Publication output has grown substantially over the last decade, rising from about 1 paper per year in 2017 to a peak of 17 in 2026, with a marked acceleration since 2023.

Generated by claude-sonnet-5 from public bibliographic data · Jul 20, 2026

Publication cadence
Publications per year over the last 10 years — averaging 8.6/year recently
2017: 1 publication172018: 6 publications182019: 4 publications192020: 3 publications202021: 5 publications212022: 3 publications222023: 5 publications232024: 8 publications242025: 10 publications252026: 17 publications1726
Recent publications
Publishes in
  • Figshare×12
  • Journal of Medicinal Chemistry×9
  • Chemical Science×3
  • Journal of Chemical Information and Modeling×3
  • bioRxiv (Cold Spring Harbor Laboratory)×3
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This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.

Last updated Jul 20, 2026.

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