Toropov AA - Search Results

1

QSAR models for predicting acute toxicity of pesticides in rainbow trout using the CORAL software and EFSA's OpenFoodTox database.

Toropov AA, Toropova AP, Marzo M, Dorne JL, Georgiadis N, Benfenati E. Toropov AA, et al. Environ Toxicol Pharmacol. 2017 Jul;53:158-163. doi: 10.1016/j.etap.2017.05.011. Epub 2017 May 23. Environ Toxicol Pharmacol. 2017. PMID: 28599185

2

QSAR models for Daphnia toxicity of pesticides based on combinations of topological parameters of molecular structures.

Toropov AA, Benfenati E. Toropov AA, et al. Bioorg Med Chem. 2006 Apr 15;14(8):2779-88. doi: 10.1016/j.bmc.2005.11.060. Epub 2005 Dec 27. Bioorg Med Chem. 2006. PMID: 16377200

3

QSAR models of quail dietary toxicity based on the graph of atomic orbitals.

Toropov AA, Benfenati E. Toropov AA, et al. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1941-3. doi: 10.1016/j.bmcl.2005.12.085. Epub 2006 Jan 25. Bioorg Med Chem Lett. 2006. PMID: 16442289

4

Correlation weighting of valence shells in QSAR analysis of toxicity.

Toropov AA, Benfenati E. Toropov AA, et al. Bioorg Med Chem. 2006 Jun 1;14(11):3923-8. doi: 10.1016/j.bmc.2006.01.038. Epub 2006 Feb 3. Bioorg Med Chem. 2006. PMID: 16460943

5

Optimisation of correlation weights of SMILES invariants for modelling oral quail toxicity.

Toropov AA, Benfenati E. Toropov AA, et al. Eur J Med Chem. 2007 May;42(5):606-13. doi: 10.1016/j.ejmech.2006.11.018. Epub 2006 Dec 15. Eur J Med Chem. 2007. PMID: 17218040

6

SMILES as an alternative to the graph in QSAR modelling of bee toxicity.

Toropov AA, Benfenati E. Toropov AA, et al. Comput Biol Chem. 2007 Feb;31(1):57-60. doi: 10.1016/j.compbiolchem.2007.01.003. Epub 2007 Jan 5. Comput Biol Chem. 2007. PMID: 17275412

7

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Toropov AA, Toropova AP, Raska I Jr. Toropov AA, et al. Eur J Med Chem. 2008 Apr;43(4):714-40. doi: 10.1016/j.ejmech.2007.05.007. Epub 2007 Jun 3. Eur J Med Chem. 2008. PMID: 17629592

8

SMILES in QSPR/QSAR Modeling: results and perspectives.

Toropov AA, Benfenati E. Toropov AA, et al. Curr Drug Discov Technol. 2007 Aug;4(2):77-116. doi: 10.2174/157016307781483432. Curr Drug Discov Technol. 2007. PMID: 17691912

9

Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain.

Toropov AA, Benfenati E. Toropov AA, et al. Bioorg Med Chem. 2008 May 1;16(9):4801-9. doi: 10.1016/j.bmc.2008.03.048. Epub 2008 Mar 23. Bioorg Med Chem. 2008. PMID: 18395455

10

QSAR modelling of carcinogenicity by balance of correlations.

Toropov AA, Toropova AP, Benfenati E, Manganaro A. Toropov AA, et al. Mol Divers. 2009 Aug;13(3):367-73. doi: 10.1007/s11030-009-9113-4. Epub 2009 Feb 4. Mol Divers. 2009. PMID: 19190994

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