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.
AI/ML ScientistComputer VisionCheminformatician
Selected work
Nature Communications, 2023
Optical chemical structure recognition
Open platform that turns images of chemical structures into machine-readable data, end to end.
DECIMER reads
SMILES: Cn1c(=O)c2c(ncn2C)n(C)c1=O
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Nucleic Acids Research, 2025
Open natural products database
The largest freely available collection of open natural products, rebuilt as a curated, FAIR service.
738,794 natural products
2026
Structure → IUPAC names, checked
Deterministic structure-to-IUPAC-name generator. Every name is read back by OPSIN, and the engine declines rather than guess.
2-(acetyloxy)benzoic acid
Preferred IUPAC name, read back by OPSIN ✓
(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
Preferred IUPAC name, read back by OPSIN ✓
5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Preferred IUPAC name, read back by OPSIN ✓
4-hydroxy-3-methoxybenzaldehyde
Preferred IUPAC name, read back by OPSIN ✓
More tools
Beyond the tools: places, photographs, ink and the longer story. The longer story → 