ArticleJournal of molecular modeling2008
Modeling the excitation wavelengths (lambda(ex)) of boronic acids.
Article in Journal of molecular modeling, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
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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.
The trial behind it
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Who cites it
4 citing papers in PubMed.
- Application of Chemometrics in Biosensing: A Review.Biosensors · 2020Review
- Random Forest Approach to QSPR Study of Fluorescence Properties Combining Quantum Chemical Descriptors and Solvent Conditions.Journal of fluorescence · 2018Article
- Activity screening and structure-activity relationship of the hit compounds targeting APN/CD13.Fundamental & clinical pharmacology · 2011Article
- Modeling the relative fluorescence intensity ratio of Eu(III) complex in different solvents based on QSPR method.Journal of fluorescence · 2009Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
The quantitative structure-property relationship (QSPR) method was used to model the fluorescence excitation wavelengths (lambda(ex)) of 42 boronic acid-based fluorescent biosensors (30 in the training set and 12 in the test set). In this QSPR study, unsupervised forward selection (UFS), stepwise multiple linear regression (SMLR), partial least squares regression (PLS) and associative neural networks (ASNN) were employed to simulate linear and nonlinear models. All models were validated by a test set and Tropsha's validation model. The resulting ASNN nonlinear model demonstrates significant improvement on the predictive ability of the neural network compared to the SMLR and PLS linear models. The descriptors used in the models are discussed in detail. These QSPR models are useful tools for the prediction of fluorescence excitation wavelengths of arylboronic acids.
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Registered trials
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