Senior ML Scientist — Molecular Optimization

ABBVIE; North Chicago (IL); On-site; USD 110,000 - 209,000; Full time

Job summary

AbbVie is seeking a Senior Scientist I-II to lead ML-enabled molecular optimization within drug discovery. You will identify, develop and deploy predictive models for small molecules, collaborating with medicinal chemists and biologists.

The role demands advanced ML/cheminformatics expertise and strong Python programming skills in a multidisciplinary team. The position emphasizes model benchmarking, decision justification, and scalable deployment of tools across projects, with a pay range

Qualifications

• Experience developing machine learning models related to chemical and biological data.
• Ability to build predictive models and benchmark performance.
• Strong communication to explain model choices to non-specialists.

Responsibilities

• Consult with project team to set quantitative targets for optimization.
• Identify models to predict binding affinities and pharmacological properties.
• Build and benchmark models for project endpoints and determine applicability domain.
• Deploy models to ensure accessibility for project team.

Skills

Python programming

ML/Deep learning

GNN

CNN

RNN

Transformer

GCNN

MPNN

NumPy

Pandas

Scikit-Learn

Cloud computing

Education

Bachelor's degree in chemistry / computer science / ML / cheminformatics / chemical engineering

Master's degree in relevant field

PhD in relevant field

Tools

Python

Job description

AbbVie is seeking a Senior Scientist I-II to lead ML-enabled molecular optimization within drug discovery. You will identify, develop and deploy predictive models for small molecules, collaborating with medicinal chemists and biologists.

The role demands advanced ML/cheminformatics expertise and strong Python programming skills in a multidisciplinary team. The position emphasizes model benchmarking, decision justification, and scalable deployment of tools across projects, with a pay range