Postdoc in Process Chemistry and Digital Synthesis
Core
Designing and evaluating human-in-the-loop methodologies combining generative chemistry AI with expert synthetic knowledge to accelerate synthesis route scouting.
Role type
Postdoctoral Researcher in Process Chemistry and Digital Synthesis
Builds
AI-assisted synthesis route scouting workflows for Syngenta's synthesis programs
Domain
Agtech / Process Chemistry / Generative AI
Deliverable
production ML models
Required skills
Synthetic organic chemistry, retrosynthetic analysis, cheminformatics (SMILES, InChI, reaction databases), Python (RDKit, pandas), Git, unit testing, critical evaluation of AI-generated routes
Preferred skills
Familiarity with generative chemistry tools (AiZynthFinder, ASKCOS, IBM RXN)
Technologies
AiZynthFinder, ASKCOS, IBM RXN, RDKit, pandas, Git
Responsibilities
Design and execute structured evaluations of generative chemistry AI tools, develop reusable benchmarks based on internal and external datasets, investigate methodological approaches for AI-assisted synthesis, integrate digital tools into live route scouting, conduct literature reviews, capture and communicate findings via reports and publications
Seniority
Postdoctoral Fellow, research-focused IC