Gramatica P - Search Results

1

Per- and polyfluoro toxicity (LC(50) inhalation) study in rat and mouse using QSAR modeling.

Bhhatarai B, Gramatica P. Bhhatarai B, et al. Among authors: gramatica p. Chem Res Toxicol. 2010 Mar 15;23(3):528-39. doi: 10.1021/tx900252h. Chem Res Toxicol. 2010. PMID: 20095582

2

QSAR approach for the selection of congeneric compounds with a similar toxicological mode of action.

Gramatica P, Vighi M, Consolaro F, Todeschini R, Finizio A, Faust M. Gramatica P, et al. Chemosphere. 2001 Mar;42(8):873-83. doi: 10.1016/s0045-6535(00)00180-6. Chemosphere. 2001. PMID: 11272909

3

Prediction of aromatic amines mutagenicity from theoretical molecular descriptors.

Gramatica P, Consonni V, Pavan M. Gramatica P, et al. SAR QSAR Environ Res. 2003 Aug;14(4):237-50. doi: 10.1080/1062936032000101484. SAR QSAR Environ Res. 2003. PMID: 14506868

4

Validated QSAR prediction of OH tropospheric degradation of VOCs: splitting into training-test sets and consensus modeling.

Gramatica P, Pilutti P, Papa E. Gramatica P, et al. J Chem Inf Comput Sci. 2004 Sep-Oct;44(5):1794-802. doi: 10.1021/ci049923u. J Chem Inf Comput Sci. 2004. PMID: 15446838

5

Ranking of aquatic toxicity of esters modelled by QSAR.

Papa E, Battaini F, Gramatica P. Papa E, et al. Among authors: gramatica p. Chemosphere. 2005 Feb;58(5):559-70. doi: 10.1016/j.chemosphere.2004.08.003. Chemosphere. 2005. PMID: 15620749

6

Statistically validated QSARs, based on theoretical descriptors, for modeling aquatic toxicity of organic chemicals in Pimephales promelas (fathead minnow).

Papa E, Villa F, Gramatica P. Papa E, et al. Among authors: gramatica p. J Chem Inf Model. 2005 Sep-Oct;45(5):1256-66. doi: 10.1021/ci050212l. J Chem Inf Model. 2005. PMID: 16180902

7

Quantitative structure-activity relationship modeling of polycyclic aromatic hydrocarbon mutagenicity by classification methods based on holistic theoretical molecular descriptors.

Gramatica P, Papa E, Marrocchi A, Minuti L, Taticchi A. Gramatica P, et al. Ecotoxicol Environ Saf. 2007 Mar;66(3):353-61. doi: 10.1016/j.ecoenv.2006.02.005. Epub 2006 Apr 17. Ecotoxicol Environ Saf. 2007. PMID: 16616369

8

Statistical external validation and consensus modeling: a QSPR case study for Koc prediction.

Gramatica P, Giani E, Papa E. Gramatica P, et al. J Mol Graph Model. 2007 Mar;25(6):755-66. doi: 10.1016/j.jmgm.2006.06.005. Epub 2006 Aug 4. J Mol Graph Model. 2007. PMID: 16890002

9

Linear QSAR regression models for the prediction of bioconcentration factors by physicochemical properties and structural theoretical molecular descriptors.

Papa E, Dearden JC, Gramatica P. Papa E, et al. Among authors: gramatica p. Chemosphere. 2007 Feb;67(2):351-8. doi: 10.1016/j.chemosphere.2006.09.079. Epub 2006 Nov 15. Chemosphere. 2007. PMID: 17109926

10

QSAR prediction of estrogen activity for a large set of diverse chemicals under the guidance of OECD principles.

Liu H, Papa E, Gramatica P. Liu H, et al. Among authors: gramatica p. Chem Res Toxicol. 2006 Nov;19(11):1540-8. doi: 10.1021/tx0601509. Chem Res Toxicol. 2006. PMID: 17112243

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