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University of Arkansas for Medical Sciences
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Feature selection for the imbalanced QSAR problems by using easyensemble.
Academic Article
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3D-QSAR, synthesis, and antimicrobial activity of 1-alkylpyridinium compounds as potential agents to improve food safety.
Academic Article
Why?
3D-QSAR study of bis-azaaromatic quaternary ammonium analogs at the blood-brain barrier choline transporter.
Academic Article
Why?
QSAR study on maximal inhibition (Imax) of quaternary ammonium antagonists for S-(-)-nicotine-evoked dopamine release from dopaminergic nerve terminals in rat striatum.
Academic Article
Why?
QSAR modeling of mono- and bis-quaternary ammonium salts that act as antagonists at neuronal nicotinic acetylcholine receptors mediating dopamine release.
Academic Article
Why?
Asymmetric bagging and feature selection for activities prediction of drug molecules.
Academic Article
Why?
Improving prediction accuracy of drug activities by utilising unlabelled instances with feature selection.
Academic Article
Why?
DAT/SERT selectivity of flexible GBR 12909 analogs modeled using 3D-QSAR methods.
Academic Article
Why?
Exploration of DPP-IV inhibitors with a novel scaffold by multistep in silico screening.
Academic Article
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Improving the inhibitory activity of arylidenaminoguanidine compounds at the N-methyl-D-aspartate receptor complex from a recursive computational-experimental structure-activity relationship study.
Academic Article
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(13)C NMR and electron ionization mass spectrometric data-activity relationship model of estrogen receptor binding.
Academic Article
Why?
3D-SDAR modeling of hERG potassium channel affinity: A case study in model design and toxicophore identification.
Academic Article
Why?
Computational identification of a phospholipidosis toxicophore using (13)C and (15)N NMR-distance based fingerprints.
Academic Article
Why?
Partial least square and k-nearest neighbor algorithms for improved 3D quantitative spectral data-activity relationship consensus modeling of acute toxicity.
Academic Article
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Why are most phospholipidosis inducers also hERG blockers?
Academic Article
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