Cheminformatics Data Scientist

Job overview

The Cheminformatics Data Scientist role is onsite in Aurora, IL. Compensation is not specified. The work bridges organic chemistry and software engineering to support drug discovery and AI/ML initiatives. The role turns chemical data and scientific requirements into reliable datasets, applications, and workflows. It contributes by curating and standardizing chemical structures, building Python-based pipelines and APIs, and preparing molecular features for predictive modeling in collaboration with medicinal chemists, data scientists, and informatics teams.

What you'll do

• Curate, standardize, and quality-check chemical datasets and compound registration systems, including tautomers, stereochemistry, and salts
• develop Python applications, APIs, and scalable data pipelines using tools such as RDKit or ChemAxon
• compute molecular properties and perform substructure or similarity searches
• prepare feature datasets for predictive modeling
• collaborate with medicinal chemists, data scientists, and informatics teams.

What we're looking for

Skills & competencies

cheminformatics data scientist

aurora il

q1 technologies

chemical data

python

rdkit

chemaxon

drug discovery

ai/ml

molecular properties

predictive modeling

chemical structure curation

Work arrangement

• Weekend coverage required

Why this role

The posting seeks a master's degree or PhD in chemistry, cheminformatics, computational chemistry, or computer science with a strong chemistry background, plus Python development and cheminformatics toolkit experience.

About the employer

Q1 Technologies, Inc is hiring for this role. Industry: Research and Development in Biotechnology (except Nanobiotechnology). Sector: 54.