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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Autori: CLAUDIU N. LUNGU.
DOI: 10.24193/subbchem.2018.1.13
Published Online: 2018-03-30
Published Print: 2018-03-30
pp. 177-188
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A series of compounds with known inhibitory activity for C-C chemokine receptor type 3 (CCR3) was considered in order to build a predictive model useful in further development of novel CCR3 inhibitors. Model was built using topological descriptors (Cluj indices included) and multiple linear regression. Principal component analysis was applied in order to enhance the model. Errors were taken into consideration and discussed. Finally, vertex invariants based on thermal conductivity layer matrix proved to be a valuable tool in bioactivity prediction of CCR3 inhibitors.
Keywords: Topological descriptors; QSAR; Regeression model; CCR3 inhibitors.
