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AI Drug Interaction Predictor

James Yamamoto

Full-time · Job · New_York

About the role

Drug interactions kill more people annually than car accidents. Our platform predicts adverse drug-drug interactions using graph neural networks trained on molecular structure data and clinical outcome records. Pharma companies use our predictions to catch dangerous combinations before they reach clinical trials. You'll design and train the interaction prediction models: encoding molecular graphs, learning relational features between compound pairs, and calibrating prediction confidence for different interaction severity levels. The data is a mix of public databases (DrugBank, SIDER) and proprietary clinical datasets from 4 pharmaceutical partners. Accuracy isn't just a metric here — it's a patient safety issue. False negatives are dangerous. False positives waste millions in unnecessary testing. You'll need to navigate that tradeoff with statistical rigor and domain awareness.

Responsibilities

  • Design graph neural network models for drug-drug interaction prediction
  • Build molecular graph encoding pipelines from chemical structure data
  • Calibrate prediction confidence for different interaction severity levels
  • Validate models against clinical outcome datasets from pharma partners
  • Present model methodology and results to pharmaceutical safety teams

Requirements

  • 5+ years in ML with graph neural network or chemoinformatics experience
  • Strong PyTorch skills for custom model architectures
  • Understanding of pharmacology or molecular biology fundamentals
  • Experience with imbalanced classification and confidence calibration
  • Scientific communication skills for pharma partner presentations

Benefits

  • Fully remote — US time zones
  • Senior compensation with equity
  • $3,500 annual conference budget
  • Direct impact on patient safety

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Categories

AI & Machine Learning Engineers data science & analytics

Skills

python pytorch scikit-learn pandas statistics

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Job Type

Full-time

Level

Senior

Language

English

Salary Range

$160k – $200k / year

AI Expertise

AI & Machine Learning Engineers data science & analytics

Skills

python pytorch scikit-learn pandas statistics docker

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