RI Predictor

PlantMAT / RI-Predictor

Library Search

Enter measured RI (and molecular formula) to search HMDB metabolites (ver2.5) based on the retention indices predicted using our ANN model*:

Retention Index (Kovats)
Error Tolerance (%)
Molecular Formula
Database

*Qiu et al., Analytica Chimica Acta, 2017, in press; doi: 10.1016/j.aca.2018.03.052

RI Prediction

Upload CDK molecular descriptors* of metabolites to predict Kovats retention indices using our ANN model:

Molecular Descriptors
Reset File Download Example

*The molecular descriptors should be generated using CDK Molecular Descriptor Calculator CLI.