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Author

T. Tomašič

2 papers indexed here

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Open access Sep 2026

Why choose between prediction power and mechanistic insight in QSRR modeling? A case study of artificial membrane chromatography and machine learning.

Quantitative structure-retention relationship (QSRR) modeling of immobilized artificial membrane (IAM) chromatography was performed on a chemically diverse set of 2003 analytes to determine whether mechanistically interpretable, descriptor-based models can match the predictive performance of advanced machine-learning a...

W. Nisterenko, Julia Nicman, Jiayin Deng et al. · 0 citations
Open access Aug 2026

Ligand-based pharmacophore modeling for the discovery of NaV1.7 inhibitors

A series of ligand-based pharmacophore models that can be useful for the discovery of novel NaV1.7 inhibitors with improved selectivity profiles are developed and validated, offering valuable computational tools and structural insights for the rational design of selective NaV1.7 inhibitors.

Martina Piga, Péter Lukács, K. Pesti et al. · 0 citations

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