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QSAR studies antiproliferative activity of heterocyclic compounds based on 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl).


 
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1. Title Title of document QSAR studies antiproliferative activity of heterocyclic compounds based on 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl).
 
2. Creator Author's name, affiliation, country Fatima Zahra EL Chokrafi; FST FES; Morocco
 
2. Creator Author's name, affiliation, country Fouad Khalil; FST FES; Morocco
 
2. Creator Author's name, affiliation, country Mohammed Bouachrine; MEM, ESTM, Université Moulay Ismail; Morocco
 
3. Subject Discipline(s)
 
3. Subject Keyword(s) Antiproliferative, MCF-7, pGI50, QSAR, MLR, MNLR, ANN, CV.
 
4. Description Abstract

A QSAR study of the antiproliferative activity is applied to a set of 22 molecules using the principal component analysis (PCA), multiple linear regression (MLR) (R = 0,754), multiple nonlinear regression (MNLR) (R = 0,981) and artificial neural network (ANN) (R = 0,987) method, and finally the model was validated with the cross-validation "leave-one-out" (CV-LOO) (R = 0,601), the values of the predicted activities are in agreement with the experimental results. From the results of this study it can be said that this model gives statistically significant results and shows a good stability to the variation of data in the cross-validation leave-one-out.
 
5. Publisher Organizing agency, location
 
6. Contributor Sponsor(s)
 
7. Date (YYYY-MM-DD) 11-09-2017
 
8. Type Status & genre Peer-reviewed Article
 
8. Type Type
 
9. Format File format PDF
 
10. Identifier Uniform Resource Identifier https://revues.imist.ma/index.php/morjchem/article/view/9540
 
10. Identifier Digital Object Identifier (DOI) https://doi.org/10.48317/IMIST.PRSM/morjchem-v5i4.9540
 
11. Source Title; vol., no. (year) Moroccan Journal of Chemistry; Vol 5, No 4 (2017)
 
12. Language English=en en
 
13. Relation Supp. Files
 
14. Coverage Geo-spatial location, chronological period, research sample (gender, age, etc.)
 
15. Rights Copyright and permissions Copyright (c) 2017 Moroccan Journal of Chemistry