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Agility. Performance. Innovation.
Cheminformatics Software Developer
Location
United States
Posted
43 days ago
Salary
0
Seniority
Senior
Job Description
Cheminformatics Software Developer
Precise Software Solutions, Inc.
• Build, extend, and maintain advanced chemical safety and predictive toxicology platforms. • Work on decision tree / rule-based engines, scientific data interfaces, and integrating external source system data into a unified informatics environment. • Rule and Algorithm Design. • Work with AI to draft initial implementation of rules. • Rule Validation. • Work with experts and AI to refine rules and resolve questions/issues; perform testing and validation of each rule. • Tree Logic Encoding. • Implement decision tree; perform testing and validation of tree traversal. • Integration and Testing. • Integrate rule engine with tree logic and validate end-to-end.
Job Requirements
- Bachelor’s Degree in Chemistry, Computer Science or related field with at least 5 years relevant experience.
- Scientific / Domain: Chemistry, Computer Science, Software development or related field.
- Cheminformatics / Toolkits: Experience working with RDKit toolkit.
- Experience with SMILES, SMARTS and SMIRKS.
- Programming / Backend: Proficiency in Python and generative AI.
- Prior experience using SMARTS for structural patterns to develop fast, readable subgraph matching: functional group detection, connectivity patterns, atom environments.
- Prior experience using RDKit and Python for counting, ring analysis, graph traversal, arithmetic constraints - full open-source cheminformatics toolkit.
- Prior experience using AI integration to assist in drafting SMARTS and Python code to implement rules and decision tree traversal.
Benefits
- Comprehensive Health Benefits (Medical, Dental and Vision)
- Flexible Spending Accounts (FSA) & Health Savings Account (HSA)
- Retirement Plan with 4% match and discretionary match at year end
- Paid Time Off (PTO): 15 days of PTO accrued per year; 7 holidays+ 3 Floating holidays; 2 Innovation days (paid training days)
- Short Term and Long-Term Disability
- Paid Parental Leave
- Paid Jury Duty leave
- Life and AD&D Insurance
- Critical Illness Insurance
- Training and Development
- Wellness Incentives & Discount programs
- Employee Referral Program
- Annual Charity Donation Match
- Awards and Recognition
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