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Search Results (35)

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Quantitative Structure-Activity RelationshipConcept Why?
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?
Miller, GroverPerson Why?
DAT/SERT selectivity of flexible GBR 12909 analogs modeled using 3D-QSAR methods.Academic Article Why?
Crooks, PeterPerson Why?
Exploration of DPP-IV inhibitors with a novel scaffold by multistep in silico screening.Academic Article Why?
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 Why?
(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 Why?
Why are most phospholipidosis inducers also hERG blockers?Academic Article Why?
Insight into human protease activated receptor-1 as anticancer target by molecular modelling.Academic Article Why?
Site of reactivity models predict molecular reactivity of diverse chemicals with glutathione.Academic Article Why?
Compadre, CesarPerson Why?
(13)C NMR quantitative spectrometric data-activity relationship (QSDAR) models of steroids binding the aromatase enzyme.Academic Article Why?
¹³C NMR-distance matrix descriptors: optimal abstract 3D space granularity for predicting estrogen binding.Academic Article Why?
Advances in the interpretation and prediction of CYP2E1 metabolism from a biochemical perspective.Academic Article Why?
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project.Academic Article Why?
Comparative structural connectivity spectra analysis (CoSCoSA) models of steroid binding to the corticosteroid binding globulin.Academic Article Why?
Comparative structural connectivity spectra analysis (CoSCoSA) models of steroids binding to the aromatase enzyme.Academic Article Why?
Computational modeling of biologically active molecules using NMR spectra.Academic Article Why?
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