Enumerating the chemical exposome using in-silico transformation analysis : an example using insecticides
Mannivannan Jothiramajayam, Dinesh Kumar Barupal
The paper demonstrates an in-silico workflow to enumerate chemical transformation products of insecticides using machine learning and chemical data resources, identifying 19,392 unique products.
Exposome · Jan 1, 2026Peer-reviewedBioinformatics