AI/ML ScientistComputer VisionCheminformatician
Kohulan Rajan
I'm a researcher who builds. I architect production AI for the chemical sciences, from optical structure recognition to the largest open natural-products database.
Selected work
Tools used by researchers worldwide
- Nature Communications, 2023
DECIMER.ai
Optical chemical structure recognition
Open platform that turns images of chemical structures into machine-readable data, end to end.
- Nucleic Acids Research, 2025
COCONUT
Open natural products database
The largest freely available collection of open natural products, rebuilt as a curated, FAIR service.
- Digital Discovery, 2025
MARCUS
Literature curation platform
Human-in-the-loop annotation plus multi-engine OCSR (DECIMER, MolNexTR, MolScribe) for curating structures from the literature.
- J. Cheminformatics, 2024
STOUT
Structure → IUPAC names
Transformer model that translates SMILES strings into human-readable IUPAC chemical names.
- 2026
ChemAudit
Structure validation suite
Validate, standardize and assess the ML-readiness of chemical structures, batched to a million compounds.
