ArticleScientific reports2026
SMILES-based QSAR analysis of carbamate derivatives targeting butyrylcholinesterase.
Article in Scientific reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
- Organic Sunscreens-Biological Activity from an Enzymatic Perspective.Molecules (Basel, Switzerland) · 2026Article
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4 authors.
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Abstract
Butyrylcholinesterase (BuChE) is a key enzyme implicated in the pathogenesis of Alzheimer's disease (AD), and its inhibition represents a promising therapeutic strategy for disease management. Among various inhibitor classes, carbamate derivatives have attracted significant attention due to their pseudo-irreversible inhibition mechanism and favorable pharmacological profiles, making them valuable scaffolds in anti-Alzheimer drug discovery. In this study, a dataset of 205 carbamate derivatives was carefully compiled from reliable peer-reviewed literature, and QSAR modeling was performed for the first time on this dataset. Quantitative structure-activity relationship (QSAR) models were constructed to predict the BuChE inhibitory activity (pIC50) employing Monte Carlo optimization within the CORAL-2023 software framework. Hybrid optimal descriptors derived from SMILES notation and hydrogen-suppressed molecular graphs were utilized. Sixty models were developed across four random splits using four distinct target functions (TF0-TF3), among which the TF3-based models exhibited superior statistical performance (validation R
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