Job Title: Cheminformatics Software Developer Company Name: Precise Software Solutions, Inc. Job Url: https://recruiting.paylocity.com/Recruiting/Jobs/Details/4045701?jr_id=69cc18f8891d7b11cfcaa65d Job Description: Cheminformatics Software Developer Fully Remote • Remote Worker - N/A Description    We seek an experienced and scientifically minded Cheminformatics Developer to build, extend, and maintain advanced chemical safety and predictive toxicology platforms. This role will work on decision tree / rule-based engines, scientific data interfaces, and integrating external source system data into a unified informatics environment. The successful candidate will combine deep domain knowledge in chemistry with strong software-engineering skills. Key Responsibilities 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. Required Qualifications  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. Preferred Qualifications 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. ABOUT US Precise Software Solutions, Inc. is a mission-focused technology services company delivering secure digital platforms, infrastructure, and operational IT services to government organizations. A CMMI Level 3–appraised company, Precise partners with agency technology leaders and solution providers to design, build, operate, and modernize enterprise IT solutions that support critical public missions combining agility, innovation, and performance to deliver measurable results.  Precise specializes in cloud and hybrid infrastructure, platform engineering, security operations and compliance, application modernization, and data platforms and analytics. The company is known for its agile, delivery-driven approach and innovative engineering practices, applying operational rigor and performance-focused execution to improve system resilience, security, and scalability across complex government environments. BENEFITS AND PERKS 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 Equal Employment Opportunity Statement Precise Software Solutions is committed to providing a workplace free from discrimination and harassment. All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, pregnancy, age, national origin, disability, sexual orientation, gender identity or expression, marital status, genetic information, protected veteran status, or other legally protected status. We are an inclusive organization and actively promote equality of opportunity for all with the right mix of talent, skills and potential. We expect every member of the Precise community to do their part to cultivate and maintain an environment where everyone has the opportunity to feel included and is afforded the respect and dignity they deserve. Apply