3 of 3 Cheminformatics Jobs in England

building and training foundation models for chemical reactivity with a variety of data modalities. You'll help curate this foundational data corpus by developing cheminformatics and computational chemistry workflows for generating data from combinatorial enumeration, as well as robust data filtering, clustering and validation routines. Computational methods: The team ...

computational backbone for data-driven synthesis in a stealth startup. You will own the end-to-end computational chemistry workflow, connecting synthetic chemistry, cheminformatics, and software with lab automation. You will sit with the chemists and automation engineers, turning expert judgement into repeatable rules, models and workflows, and you will ...

from the molecules someone wants made to the plan the lab executes. The role sits at the interface between synthetic chemistry, cheminformatics and software, and lab automation, and you will build the computational capability alongside the physical synthesis and automation capability from an early stage. The role is embedded with … speak the language of synthetic chemists, draw out and distill their expertise, and translate practical chemical judgement into computational rules, models and workflows. Strong cheminformatics, particularly the rigorous handling of chemical structures in digital form, including molecular and reaction representations, SMILES and SMARTS, stereochemistry and isomers, salts, tautomers, protonation ...