Suno

Drug Hunter (drughunter.com) is an essential web-based knowledge platform for drug discovery and development innovators turning molecules into medicines. The Scientific Content team at Drug Hunter distills the science and technology behind emerging drugs into concise searchable reports and resources with relevant transferable insights. Drug Hunter members include many leading biotechnology and pharmaceutical companies, as well as top-tier investment firms.

We are seeking a highly motivated Cheminformatics Data Scientist to analyze chemical and biological datasets, develop predictive models, and contribute to innovative solutions in computational drug design.

Job Summary:

As a Cheminformatics Data Scientist, you will apply data-driven approaches to drug discovery-focused chemical and biological problems, apply and develop machine learning models for molecular property prediction, and analyse and optimize hit to lead and lead optimization strategies from our proprietary knowledge-base. You will work closely with both the internal product team and external partner who range from medicinal chemists, bioinformaticians, and software engineers to enhance our product and support of the community.

Key Responsibilities:

• Develop and apply cheminformatics data-mining algorithms for the analysis of molecular modeling, virtual screening, and structure-activity relationship (SAR) analysis.
• Process and analyze small- and large-chemical and biological datasets, including drug-likeness, ADMET properties, dosing, PK/PD etc.
• Utilize molecular fingerprints, descriptors, and similarity metrics for compound clustering and classification.
• Integrate chemical and biological databases (e.g., ChEMBL, PubChem, and others) to support data-driven discovery.
• Optimize data pipelines for processing and storing chemical structures using cheminformatics toolkits (RDKit, Open Babel, etc.).
• Collaborate with cross-functional teams to integrate computational approaches into curation and analysis workflows.
• Contribute to thought leader articles on cheminformatics aspects of drug discovery.
• Maintain best practices in data integrity, reproducibility, and documentation of computational models.

Required Qualifications:

• Ph.D. or Master's degree in Cheminformatics, Computational Chemistry, Bioinformatics, Data Science, or a related field.
• 5+ years of experience in cheminformatics, computational drug discovery, or machine learning applications in chemistry.
• Proficiency in Python, with experience in cheminformatics libraries and topics (RDKit, Open Babel, DeepChem, InChI, SMILES/SMARTS).
• Strong knowledge of molecular descriptors, QSAR modeling, and chemical informatics techniques.
• Strong knowledge of the physical chemistry especially as related to physical properties, reactivity and stereochemistry.
• Familiarity with Open Source and commercial molecular docking, molecular dynamics, and ligand-based drug design software and approaches.
• Experience working with relational (SQL) and NoSQL databases for chemical data management.
• Experience working in a structured collaborative data and software development environment (git).
• Exceptional communication skills in written and verbal communication of science, a natural story-teller to make sense and provide insights from complex data.

Preferred Qualifications:

• Experience of SBDD and structural biology.
• Familiarity with quantum chemistry or physics-based modeling approaches (DFT, molecular dynamics).
• Understanding of regulatory and patent landscapes for chemical and pharmaceutical data.

Application Instructions:

Please include a list of publications, conference presentations, and GitHub repository link (if applicable) in your application submission.

Compensation:

Drug Hunter takes a market-based approach to pay. The candidate's starting pay will be determined based on job-related skills, experience, qualifications, interview performance, and work location.

Total Compensation includes the following:

• Competitive salary, variable compensation, and equity
• Broad range of medical, dental, vision, and life insurance plans for employees and their dependents
• Supplemental insurance including disability, cancer, and critical illness
• Paid parental leave and childcare FSA plan
• 401(k) + employer match
• Home office set up stipend for remote employees
• Learning and development support
• Generous and flexible vacation

We are an equal opportunity employer, which means we don't discriminate on the basis of race, religion, color, national origin, gender, sexual orientation, age, marital status, veteran status, or disability status. We also consider for employment qualified applicants with arrest and conviction records, consistent with applicable federal, state and local law, including but not limited to the San Francisco Fair Chance Ordinance.

Please be aware that Drug Hunter will never request personal information, payment, or sensitive details outside of iSolved or via email. All official communications will come from an @drughunter.com email address or from an approved vendor alias.