Varnek A - Search Results

1

Design of a general-purpose European compound screening library for EU-OPENSCREEN.

Horvath D, Lisurek M, Rupp B, Kühne R, Specker E, von Kries J, Rognan D, Andersson CD, Almqvist F, Elofsson M, Enqvist PA, Gustavsson AL, Remez N, Mestres J, Marcou G, Varnek A, Hibert M, Quintana J, Frank R. Horvath D, et al. Among authors: varnek a. ChemMedChem. 2014 Oct;9(10):2309-26. doi: 10.1002/cmdc.201402126. Epub 2014 Jul 15. ChemMedChem. 2014. PMID: 25044981

2

In silico Design, Virtual Screening and Synthesis of Novel Electrolytic Solvents.

Marcou G, Flamme B, Beck G, Chagnes A, Mokshyna O, Horvath D, Varnek A. Marcou G, et al. Among authors: varnek a. Mol Inform. 2019 Oct;38(10):e1900014. doi: 10.1002/minf.201900014. Epub 2019 Jun 5. Mol Inform. 2019. PMID: 31166649

3

Neighboring Structure Visualization on a Grid-based Layout.

Marcou G, Horvath D, Varnek A. Marcou G, et al. Among authors: varnek a. Mol Inform. 2017 Oct;36(10). doi: 10.1002/minf.201700047. Epub 2017 Sep 13. Mol Inform. 2017. PMID: 28902973

4

GTM-Based QSAR Models and Their Applicability Domains.

Gaspar HA, Baskin II, Marcou G, Horvath D, Varnek A. Gaspar HA, et al. Among authors: varnek a. Mol Inform. 2015 Jun;34(6-7):348-56. doi: 10.1002/minf.201400153. Epub 2015 Feb 3. Mol Inform. 2015. PMID: 27490381

5

Expert system for predicting reaction conditions: the Michael reaction case.

Marcou G, Aires de Sousa J, Latino DA, de Luca A, Horvath D, Rietsch V, Varnek A. Marcou G, et al. Among authors: varnek a. J Chem Inf Model. 2015 Feb 23;55(2):239-50. doi: 10.1021/ci500698a. Epub 2015 Feb 3. J Chem Inf Model. 2015. PMID: 25588070

6

Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure-Activity Modeling and Dataset Comparison.

Kireeva N, Baskin II, Gaspar HA, Horvath D, Marcou G, Varnek A. Kireeva N, et al. Among authors: varnek a. Mol Inform. 2012 Apr;31(3-4):301-12. doi: 10.1002/minf.201100163. Epub 2012 Apr 4. Mol Inform. 2012. PMID: 27477099

7

Stochastic versus stepwise strategies for quantitative structure-activity relationship generation--how much effort may the mining for successful QSAR models take?

Horvath D, Bonachera F, Solov'ev V, Gaudin C, Varnek A. Horvath D, et al. Among authors: varnek a. J Chem Inf Model. 2007 May-Jun;47(3):927-39. doi: 10.1021/ci600476r. Epub 2007 May 5. J Chem Inf Model. 2007. PMID: 17480052

8

Interpretability of SAR/QSAR Models of any Complexity by Atomic Contributions.

Marcou G, Horvath D, Solov'ev V, Arrault A, Vayer P, Varnek A. Marcou G, et al. Among authors: varnek a. Mol Inform. 2012 Sep;31(9):639-42. doi: 10.1002/minf.201100136. Epub 2012 Aug 21. Mol Inform. 2012. PMID: 27477814 No abstract available.

9

In silico design of new ionic liquids based on quantitative structure-property relationship models of ionic liquid viscosity.

Billard I, Marcou G, Ouadi A, Varnek A. Billard I, et al. Among authors: varnek a. J Phys Chem B. 2011 Jan 13;115(1):93-8. doi: 10.1021/jp107868w. Epub 2010 Dec 13. J Phys Chem B. 2011. PMID: 21142192

10

QSPR models for bioconcentration factor (BCF): are they able to predict data of industrial interest?

Lunghini F, Marcou G, Azam P, Patoux R, Enrici MH, Bonachera F, Horvath D, Varnek A. Lunghini F, et al. Among authors: varnek a. SAR QSAR Environ Res. 2019 Jul;30(7):507-524. doi: 10.1080/1062936X.2019.1626278. SAR QSAR Environ Res. 2019. PMID: 31244346

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