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Items: 1 to 20 of 123

1.

CORAL software: prediction of carcinogenicity of drugs by means of the Monte Carlo method.

Toropova AP, Toropov AA.

Eur J Pharm Sci. 2014 Feb 14;52:21-5.

PMID:
24514451
2.

coral Software: QSAR for Anticancer Agents.

Benfenati E, Toropov AA, Toropova AP, Manganaro A, Gonella Diaza R.

Chem Biol Drug Des. 2011 Jun;77(6):471-6. doi: 10.1111/j.1747-0285.2011.01117.x.

PMID:
21435183
3.

CORAL: QSAR models for acute toxicity in fathead minnow (Pimephales promelas).

Toropova AP, Toropov AA, Lombardo A, Roncaglioni A, Benfenati E, Gini G.

J Comput Chem. 2012 May 5;33(12):1218-23. doi: 10.1002/jcc.22953.

PMID:
22371019
4.

Mutagenicity: QSAR - quasi-QSAR - nano-QSAR.

Toropova AP, Toropov AA.

Mini Rev Med Chem. 2015;15(8):608-21.

PMID:
25694078
5.

Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling.

Valerio LG Jr, Arvidson KB, Chanderbhan RF, Contrera JF.

Toxicol Appl Pharmacol. 2007 Jul 1;222(1):1-16.

PMID:
17482223
6.

Additive SMILES-based carcinogenicity models: Probabilistic principles in the search for robust predictions.

Toropov AA, Toropova AP, Benfenati E.

Int J Mol Sci. 2009 Jul 8;10(7):3106-27. doi: 10.3390/ijms10073106.

7.

SMILES-based QSAR approaches for carcinogenicity and anticancer activity: comparison of correlation weights for identical SMILES attributes.

Toropov AA, Toropova AP, Benfenati E, Gini G, Leszczynska D, Leszczynski J.

Anticancer Agents Med Chem. 2011 Dec;11(10):974-82.

PMID:
22023046
8.

SMILES-based optimal descriptors: QSAR modeling of carcinogenicity by balance of correlations with ideal slopes.

Toropov AA, Toropova AP, Benfenati E.

Eur J Med Chem. 2010 Sep;45(9):3581-7. doi: 10.1016/j.ejmech.2010.05.002.

PMID:
20570021
9.

Prediction of carcinogenicity for diverse chemicals based on substructure grouping and SVM modeling.

Tanabe K, Lučić B, Amić D, Kurita T, Kaihara M, Onodera N, Suzuki T.

Mol Divers. 2010 Nov;14(4):789-802. doi: 10.1007/s11030-010-9232-y.

PMID:
20186479
10.

Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices.

Contrera JF, Matthews EJ, Daniel Benz R.

Regul Toxicol Pharmacol. 2003 Dec;38(3):243-59.

PMID:
14623477
11.

QSPR modelling of dielectric constants of π-conjugated organic compounds by means of the CORAL software.

Achary PG.

SAR QSAR Environ Res. 2014;25(6):507-26. doi: 10.1080/1062936X.2014.899267.

PMID:
24716837
12.

QSAR study for carcinogenicity in a large set of organic compounds.

Duchowicz PR, Comelli NC, Ortiz EV, Castro EA.

Curr Drug Saf. 2012 Sep;7(4):282-8.

PMID:
23062240
13.

QSAR modelling of carcinogenicity by balance of correlations.

Toropov AA, Toropova AP, Benfenati E, Manganaro A.

Mol Divers. 2009 Aug;13(3):367-73. doi: 10.1007/s11030-009-9113-4.

PMID:
19190994
14.

QSAR models for toxicity of organic substances to Daphnia magna built up by using the CORAL freeware.

Toropova AP, Toropov AA, Benfenati E, Gini G.

Chem Biol Drug Des. 2012 Mar;79(3):332-8. doi: 10.1111/j.1747-0285.2011.01279.x.

PMID:
22136580
15.

Prediction of retention characteristics of heterocyclic compounds.

Nesměrák K, Toropov AA, Toropova AP, Yildiz I, Yalcin I, Brozikova M, Klimešová V, Waisser K.

Anal Bioanal Chem. 2015 Dec;407(30):9185-9. doi: 10.1007/s00216-015-9067-6.

PMID:
26427498
16.

Development and validation of a robust QSAR model for prediction of carcinogenicity of drugs.

Kar S, Roy K.

Indian J Biochem Biophys. 2011 Apr;48(2):111-22.

PMID:
21682143
17.

Development of classification and regression based QSAR models to predict rodent carcinogenic potency using oral slope factor.

Kar S, Deeb O, Roy K.

Ecotoxicol Environ Saf. 2012 Aug;82:85-95. doi: 10.1016/j.ecoenv.2012.05.013.

PMID:
22698880
19.

CORAL: model for no observed adverse effect level (NOAEL).

Toropov AA, Toropova AP, Pizzo F, Lombardo A, Gadaleta D, Benfenati E.

Mol Divers. 2015 Aug;19(3):563-75. doi: 10.1007/s11030-015-9587-1.

20.

Monte Carlo QSAR models for predicting organophosphate inhibition of acetycholinesterase.

Veselinović JB, Nikolić GM, Trutić NV, Živković JV, Veselinović AM.

SAR QSAR Environ Res. 2015 Jun;26(6):449-60. doi: 10.1080/1062936X.2015.1049665.

PMID:
26043064
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