LabCompass

Emmanuel Oluwarotimi

Computer Science · Purdue University West Lafayette

OpenAlex ORCID
Early career · publishing since 2020
Computational Drug Discovery MethodsPhytochemicals and Antioxidant ActivitiesEndoplasmic Reticulum Stress and DiseaseProtein Tyrosine PhosphatasesToxin Mechanisms and Immunotoxins

Publications

11

Citations

91

Est. group size

~1

Recurring co-author estimate

Active years

6

Publishing since 2020

Research summary
AI-generated

This researcher works in computational drug discovery, using computer-based methods such as molecular modeling, quantum mechanical calculations, and machine learning to identify potential drug compounds (often derived from plants) for diseases including cancer and viral infections like SARS-CoV-2. The work sits at the intersection of computer science, chemistry, and biology, aiming to predict which natural or synthetic molecules might block disease-related proteins before costly lab testing.

Computer-aided drug discoveryMolecular modeling and simulationNatural product/phytochemical bioactivityMachine learning for virtual screeningCancer and viral disease drug targets

Publication output has been modest and uneven over the last decade, starting in 2020 with a few papers per year and continuing at a low, irregular pace through 2025.

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

Publication cadence
Publications per year over the last 10 years — averaging 1.2/year recently
1718192020: 3 publications3202021: 2 publications212022: 2 publications222023: 3 publications323242025: 1 publication2526
Recent publications
Publishes in
  • Research Square×2
  • Zenodo (CERN European Organization for Nuclear Research)×2
  • In Silico Pharmacology×1
  • Frontiers in Chemistry×1
  • Letters in Drug Design & Discovery×1
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By research-topic overlap

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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