Green(er) LC + QSRR for phenolic identification 🌿📈

Laganà Vinci, Arena et al. (2026) combine capillary LC, linear gradients, LRIs, and PLS-based QSRR to cut solvent use and improve retention prediction. doi.org/10.1016/j.gr...

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#QSRR #QSAR #chemsky

alvaDesc - Alvascience alvaDesc AlvaDesc is the next-generation tool designed for the seamless calculation of a wide range of molecular descriptors, molecular fingerprints, and

📄 Paper: "LSS and QSRR combined modelling for mechanistic elucidation of phenolic compound retention under diverse reversed-phase conditions" doi.org/10.1016/j.ac...

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#QSRR #HPLC #AnalyticalChemistry #Cheminformatics #moleculardescriptors #chemsky

🔬 New study uses alvaDesc to build a QSRR model for estimating plasticizer metabolite levels in urine

📄 Read the paper: doi.org/10.1016/j.ac...
🔗 Learn more about alvaDesc: alvascience.com/alvadesc/

#QSRR #alvaDesc #NTA #Exposomics #LCMS #Cheminformatics