Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Abul Kashem Liton"'
Publikováno v:
Molecular Physics. 120
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e187adffbde64244e0c8f328e8885ed8
https://doi.org/10.1080/00268976.2022.2103468
https://doi.org/10.1080/00268976.2022.2103468
Publikováno v:
Arabian Journal of Chemistry, Vol 7, Iss 5, Pp 639-646 (2014)
Herein we have studied the cytotoxicity and quantitative structure–activity relationship (QSAR) of heterocyclic compounds containing cyclic urea and thiourea nuclei. A set of 22 hydantoin and thiohydantoin related heterocyclic compounds were invest
Externí odkaz:
https://doaj.org/article/52348b1105e547838904a0b65f3f4271
Coumarins are the family of benzopyrones, in which benzene ring amalgamated with the pyrone ring. Their versatile oxygen-containing heterocyclic structure and physicochemical characteristics are responsible to attract great attention from medicinal c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6cbc3dd8cf578211e5e917fc14113115
In this research, a number of Schiff base ligands (1–6) were synthesised from salicylaldehyde, as well as their in vitro antibacterial activities were tested against gram-positive (Streptococcus agalactiae, Staphylococcus aureus) and gram-negative
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::263577fad1937dfd986a20a3eaf34688
Publikováno v:
Oriental Journal of Chemistry. 35:947-957
A set of 74 small molecules was employed to generate a quantitative structure-property relationship (QSPR) model for predicting gas-phase Gibb’s free energy changes (ΔGgas) on the simplified molecular input line entry system (SMILES). To obtain th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::60beaec883c69a04be16feebb0083616
https://doi.org/10.13005/ojc/350305
https://doi.org/10.13005/ojc/350305
Publikováno v:
Arabian Journal of Chemistry, Vol 7, Iss 5, Pp 639-646 (2014)
Herein we have studied the cytotoxicity and quantitative structure–activity relationship (QSAR) of heterocyclic compounds containing cyclic urea and thiourea nuclei. A set of 22 hydantoin and thiohydantoin related heterocyclic compounds were invest
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80d70e4f6b0a4d87c0756b2121bffe7e
https://doi.org/10.1016/j.arabjc.2014.01.014
https://doi.org/10.1016/j.arabjc.2014.01.014
Publikováno v:
Universal Journal of Chemistry. 1:71-76
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 q 2 (0.903) and conventional correlation coefficient r 2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::efabf59b904d51c85aa4b161cee8b478
https://doi.org/10.13189/ujc.2013.010208
https://doi.org/10.13189/ujc.2013.010208
Publikováno v:
Computational and Theoretical Chemistry. 999:1-6
The relative p K a value of trimethylaminium ion has been successfully calculated with a variety of methods and basis sets. Solvation energies have been calculated using CPCM continuum model of solvation at the HF and DFT methods with various types o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f4b5c1bfd94c43f2e1d730c5b7e66c27
https://doi.org/10.1016/j.comptc.2012.08.001
https://doi.org/10.1016/j.comptc.2012.08.001
Publikováno v:
Computational & Theoretical Chemistry; Nov2012, Vol. 999, p1-6, 6p
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