AMBIENTUM BIOETHICA BIOLOGIA CHEMIA DIGITALIA DRAMATICA EDUCATIO ARTIS GYMNAST. ENGINEERING EPHEMERIDES EUROPAEA GEOGRAPHIA GEOLOGIA HISTORIA HISTORIA ARTIUM INFORMATICA IURISPRUDENTIA MATHEMATICA MUSICA NEGOTIA OECONOMICA PHILOLOGIA PHILOSOPHIA PHYSICA POLITICA PSYCHOLOGIA-PAEDAGOGIA SOCIOLOGIA THEOLOGIA CATHOLICA THEOLOGIA CATHOLICA LATIN THEOLOGIA GR.-CATH. VARAD THEOLOGIA ORTHODOXA THEOLOGIA REF. TRANSYLVAN
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STUDIA CHEMIA - Issue no. 1 / 2014 | |||||||
Article: |
QSAR STUDY ON NITROGEN-CONTAINING FLAVONOIDS BY SIMILARITY CLUSTER PREDICTION. Authors: . |
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Abstract:
A set of 40 flavonoids, downloaded from the PubChem database, was submitted to a qsar study by using an alignment procedure of the molecules over the hypermolecule, that mimics the investigated correlational space, within the correlation weighting analysis. The best models have been validated in the external test set and in a new version of validation/prediction by using similarity clusters. Key-words: QSAR, log P, flavonoids, correlation weighting, similarity
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