Journals Information
Universal Journal of Chemistry(CEASE PUBLICATION) Vol. 1(2), pp. 71 - 76
DOI: 10.13189/ujc.2013.010208
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3D-QSAR MIFs Studies on 3,5-substituted-1,4,2-dioxazoles Derivatives Using Open3DQSAR Tools
M. Abul Kashem Liton1,*, A.C. Bhowmick1, M. Ashraf Ali2
1 Department of Chemistry, Mawlana Bhashani Science and Technology University, Santosh, Tangail-1902, Bangladesh
2 Bangladesh Chemical Industries Corporation (BCIC), Dhaka, Bangladesh
ABSTRACT
The MIFs had been applied to a data set of thirty three (33) dioxazole derivatives to generate the 3D-QSAR model at various 3D grid spacing. An excellent cross-validated correlation coefficient q2 (0.903) and conventional correlation coefficient r2 (0.985) were obtained at a 2.0 脜 3D grid spacing, indicating the statistical significance of this class of compounds. The calculated biological activities showed a high degree of agreement with experimental values.
KEYWORDS
MIFs, Open3DQSAR, PLS, LOO, NIPALS
Cite This Paper in IEEE or APA Citation Styles
(a). IEEE Format:
[1] M. Abul Kashem Liton , A.C. Bhowmick , M. Ashraf Ali , "3D-QSAR MIFs Studies on 3,5-substituted-1,4,2-dioxazoles Derivatives Using Open3DQSAR Tools," Universal Journal of Chemistry(CEASE PUBLICATION), Vol. 1, No. 2, pp. 71 - 76, 2013. DOI: 10.13189/ujc.2013.010208.
(b). APA Format:
M. Abul Kashem Liton , A.C. Bhowmick , M. Ashraf Ali (2013). 3D-QSAR MIFs Studies on 3,5-substituted-1,4,2-dioxazoles Derivatives Using Open3DQSAR Tools. Universal Journal of Chemistry(CEASE PUBLICATION), 1(2), 71 - 76. DOI: 10.13189/ujc.2013.010208.