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JOB DESCRIPTION
Experience : 7 - 12 Yrs
Location : Bengaluru
Designation : Cheminformatics Scientist
About the Role
We 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 de ...