Cheminfomatics Scientists

Job Title: Cheminformatics ScientistSalary : 25LPALocation: Remote in IndiaType: Full-timeSeniority: Mid to Senior (PhD or equivalent industry experience)About the RoleWe are seeking a technically strong and chemistry-aware Cheminformatics Scientist to join our team focused on reaction prediction, retrosynthesis, and condition optimization. You'll work on projects that blend domain-specific chemistry knowledge with cutting-edge machine learning—powering the future of autonomous synthesis, self-driving labs, and intelligent reaction planning.Responsibilities● Structure reaction datasets (ELNs, Reaxys, USPTO, etc.) for ML training and modeling pipelines● Develop and iterate on reaction prediction models (forward reaction, retrosynthesis – single and multi-step)● Build and benchmark algorithms for reaction condition recommendation, including yield/selectivity/ procedure modeling● Implement and test template-based and template-free approaches using reaction SMARTS, graph methods, or transformers● Lead or contribute to the design of closed-loop optimization frameworks.● Collaborate across teams to productionize models and integrate them into cheminformatics platforms● Present model results, design tradeoffs, and insights to stakeholders across technical and business functions● Remain current with recent literature and tools.

Created: 2025-05-09