Bonachera F - Search Results

1

NP Navigator: A New Look at the Natural Product Chemical Space.

Zabolotna Y, Ertl P, Horvath D, Bonachera F, Marcou G, Varnek A. Zabolotna Y, et al. Among authors: bonachera f. Mol Inform. 2021 Sep;40(9):e2100068. doi: 10.1002/minf.202100068. Epub 2021 Jun 25. Mol Inform. 2021. PMID: 34170632

2

Fuzzy tricentric pharmacophore fingerprints. 1. Topological fuzzy pharmacophore triplets and adapted molecular similarity scoring schemes.

Bonachéra F, Parent B, Barbosa F, Froloff N, Horvath D. Bonachéra F, et al. J Chem Inf Model. 2006 Nov-Dec;46(6):2457-77. doi: 10.1021/ci6002416. J Chem Inf Model. 2006. PMID: 17125187

3

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: bonachera f. 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

4

Fuzzy tricentric pharmacophore fingerprints. 2. Application of topological fuzzy pharmacophore triplets in quantitative structure-activity relationships.

Bonachéra F, Horvath D. Bonachéra F, et al. J Chem Inf Model. 2008 Feb;48(2):409-25. doi: 10.1021/ci7003237. Epub 2008 Feb 7. J Chem Inf Model. 2008. PMID: 18254617

5

Using self-organizing maps to accelerate similarity search.

Bonachera F, Marcou G, Kireeva N, Varnek A, Horvath D. Bonachera F, et al. Bioorg Med Chem. 2012 Sep 15;20(18):5396-409. doi: 10.1016/j.bmc.2012.04.024. Epub 2012 Apr 21. Bioorg Med Chem. 2012. PMID: 22595424

6

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: bonachera f. SAR QSAR Environ Res. 2019 Jul;30(7):507-524. doi: 10.1080/1062936X.2019.1626278. SAR QSAR Environ Res. 2019. PMID: 31244346

7

Endocrine disruption: the noise in available data adversely impacts the models' performance.

Lunghini F, Marcou G, Azam P, Bonachera F, Enrici MH, Van Miert E, Varnek A. Lunghini F, et al. Among authors: bonachera f. SAR QSAR Environ Res. 2021 Feb;32(2):111-131. doi: 10.1080/1062936X.2020.1864468. Epub 2021 Jan 19. SAR QSAR Environ Res. 2021. PMID: 33461329

8

Molecular Similarity Perception Based on Machine-Learning Models.

Gandini E, Marcou G, Bonachera F, Varnek A, Pieraccini S, Sironi M. Gandini E, et al. Among authors: bonachera f. Int J Mol Sci. 2022 May 30;23(11):6114. doi: 10.3390/ijms23116114. Int J Mol Sci. 2022. PMID: 35682792 Free PMC article.

9

Toward in Silico Modeling of Dynamic Combinatorial Libraries.

Casciuc I, Osypenko A, Kozibroda B, Horvath D, Marcou G, Bonachera F, Varnek A, Lehn JM. Casciuc I, et al. Among authors: bonachera f. ACS Cent Sci. 2022 Jun 22;8(6):804-813. doi: 10.1021/acscentsci.2c00048. Epub 2022 May 27. ACS Cent Sci. 2022. PMID: 35756377 Free PMC article.

10

Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug Discovery.

Zabolotna Y, Bonachera F, Horvath D, Lin A, Marcou G, Klimchuk O, Varnek A. Zabolotna Y, et al. Among authors: bonachera f. J Chem Inf Model. 2022 Sep 26;62(18):4537-4548. doi: 10.1021/acs.jcim.2c00509. Epub 2022 Sep 14. J Chem Inf Model. 2022. PMID: 36103300

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