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3. CORAL: QSPR model of water solubility based on local and global SMILES attributes. Toropov AA; Toropova AP; Benfenati E; Gini G; Leszczynska D; Leszczynski J Chemosphere; 2013 Jan; 90(2):877-80. PubMed ID: 22921649 [TBL] [Abstract][Full Text] [Related]
4. Combinations of graph invariants and attributes of simplified molecular input-line entry system (SMILES) to build up models for sweetness. Achary PGR; Toropova AP; Toropov AA Food Res Int; 2019 Aug; 122():40-46. PubMed ID: 31229093 [TBL] [Abstract][Full Text] [Related]
5. QSAR as a random event: modeling of nanoparticles uptake in PaCa2 cancer cells. Toropov AA; Toropova AP; Puzyn T; Benfenati E; Gini G; Leszczynska D; Leszczynski J Chemosphere; 2013 Jun; 92(1):31-7. PubMed ID: 23566368 [TBL] [Abstract][Full Text] [Related]
11. 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. PubMed ID: 22136580 [TBL] [Abstract][Full Text] [Related]
12. 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. PubMed ID: 26043064 [TBL] [Abstract][Full Text] [Related]
13. Nano-QSAR in cell biology: Model of cell viability as a mathematical function of available eclectic data. Toropova AP; Toropov AA J Theor Biol; 2017 Mar; 416():113-118. PubMed ID: 28087422 [TBL] [Abstract][Full Text] [Related]
14. Calculation of molecular features with apparent impact on both activity of mutagens and activity of anticancer agents. Toropov AA; Toropova AP; Benfenati E; Gini G; Leszczynska D; Leszczynski J Anticancer Agents Med Chem; 2012 Sep; 12(7):807-17. PubMed ID: 22583412 [TBL] [Abstract][Full Text] [Related]
15. CORAL: QSAR models for carcinogenicity of organic compounds for male and female rats. Toropova AP; Toropov AA Comput Biol Chem; 2018 Feb; 72():26-32. PubMed ID: 29310001 [TBL] [Abstract][Full Text] [Related]
16. Use of the index of ideality of correlation to improve predictive potential for biochemical endpoints. Toropov AA; Toropova AP Toxicol Mech Methods; 2019 Jan; 29(1):43-52. PubMed ID: 30064284 [TBL] [Abstract][Full Text] [Related]
17. Mutagenicity, anticancer activity and blood brain barrier: similarity and dissimilarity of molecular alerts. Toropov AA; Toropova AP; Benfenati E; Salmona M Toxicol Mech Methods; 2018 Jun; 28(5):321-327. PubMed ID: 29281931 [TBL] [Abstract][Full Text] [Related]
18. Quasi-QSAR for mutagenic potential of multi-walled carbon-nanotubes. Toropov AA; Toropova AP Chemosphere; 2015 Apr; 124():40-6. PubMed ID: 25465947 [TBL] [Abstract][Full Text] [Related]
19. Use of Quasi-SMILES and Monte Carlo Optimization to Develop Quantitative Feature Property/Activity Relationships (QFPR/QFAR) for Nanomaterials. Toropov AA; Rallo R; Toropova AP Curr Top Med Chem; 2015; 15(18):1837-44. PubMed ID: 25961527 [TBL] [Abstract][Full Text] [Related]
20. 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. PubMed ID: 26427498 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]