LabCompass

Anton V. Sinitskiy

Computer Science · Purdue University West Lafayette

OpenAlex ORCID
Mid career · publishing since 2009Rising activity
Computational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials ScienceNeuroscience and Neuropharmacology ResearchReceptor Mechanisms and Signaling

Publications

53

Citations

869

Est. group size

—

Recurring co-author estimate

Active years

18

Publishing since 2009

Research summary
AI-generated

Anton V. Sinitskiy works at the intersection of computer science, chemistry, and biology, using machine learning to tackle problems like drug discovery, chemical reaction prediction, and models of simple nervous systems. Recent work also evaluates how well AI systems can autonomously carry out scientific research tasks, comparing them against real published studies. This research could interest students working on applying AI/ML methods to chemistry, biology, and the broader question of automating scientific discovery.

AI for drug discovery and chemistryMachine learning applied to biological/chemical dataComputational models of nervous systemsEvaluating AI agents on scientific research tasksReproducibility and benchmarking of computational methods

Publication output has been variable but shows an increase in recent years, rising from a low in 2020 to a peak of 8 in 2023 and continuing at a steady pace of 4-6 per year through 2026.

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

Publication cadence
Publications per year over the last 10 years — averaging 5.0/year recently
2017: 4 publications172018: 6 publications182019: 2 publications19202021: 3 publications212022: 3 publications222023: 8 publications8232024: 4 publications242025: 4 publications252026: 6 publications26
Recent publications
Publishes in
  • bioRxiv (Cold Spring Harbor Laboratory)×12
  • ChemRxiv×7
  • arXiv (Cornell University)×5
  • Biophysical Journal×3
  • The Journal of Physical Chemistry B×2
Similar researchers
By research-topic overlap
  • Yu‐Chen Yen

    Computer Science · Purdue University West Lafayette

  • Xiang Liu

    Computer Science · Purdue University West Lafayette

  • Woong‐Hee Shin

    Computer Science · Purdue University West Lafayette

  • Jianwen Chen

    Computer Science · The Ohio State University

  • Kyle Swanson

    Computer Science · Purdue University West Lafayette

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.

Claim or correct this profile