Ruggiu F - Search Results

1

Navigating large chemical spaces in early-phase drug discovery.

Korn M, Ehrt C, Ruggiu F, Gastreich M, Rarey M. Korn M, et al. Among authors: ruggiu f. Curr Opin Struct Biol. 2023 Jun;80:102578. doi: 10.1016/j.sbi.2023.102578. Epub 2023 Apr 4. Curr Opin Struct Biol. 2023. PMID: 37019067 Free article. Review.

2

Early Career Perspectives from Large Pharma, Software, and Start-up Companies.

Ruggiu F, Bannan C, Bootsma A. Ruggiu F, et al. J Chem Inf Model. 2022 Jun 13;62(11):2631-2638. doi: 10.1021/acs.jcim.1c01416. Epub 2022 May 19. J Chem Inf Model. 2022. PMID: 35588763 Free PMC article. Review.

3

The (Re)-Evolution of Quantitative Structure-Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods.

Soares TA, Nunes-Alves A, Mazzolari A, Ruggiu F, Wei GW, Merz K. Soares TA, et al. Among authors: ruggiu f. J Chem Inf Model. 2022 Nov 28;62(22):5317-5320. doi: 10.1021/acs.jcim.2c01422. J Chem Inf Model. 2022. PMID: 36437763 No abstract available.

4

Size Matters and How You Measure It: A Gram-Negative Antibacterial Example Exceeding Typical Molecular Weight Limits.

Ruggiu F, Yang S, Simmons RL, Casarez A, Jones AK, Li C, Jansen JM, Moser HE, Dean CR, Reck F, Lindvall M. Ruggiu F, et al. ACS Infect Dis. 2019 Oct 11;5(10):1688-1692. doi: 10.1021/acsinfecdis.9b00256. Epub 2019 Sep 3. ACS Infect Dis. 2019. PMID: 31478369

5

Facilitating unambiguous NMR assignments and enabling higher probe density through selective labeling of all methyl containing amino acids.

Proudfoot A, Frank AO, Ruggiu F, Mamo M, Lingel A. Proudfoot A, et al. Among authors: ruggiu f. J Biomol NMR. 2016 May;65(1):15-27. doi: 10.1007/s10858-016-0032-2. Epub 2016 Apr 29. J Biomol NMR. 2016. PMID: 27130242

6

[Quality control of chemical libraries].

Galzi JL, Ruggiu F, Gizzi P, Didier B. Galzi JL, et al. Among authors: ruggiu f. Med Sci (Paris). 2015 Jun-Jul;31(6-7):660-6. doi: 10.1051/medsci/20153106020. Epub 2015 Jul 7. Med Sci (Paris). 2015. PMID: 26152171 Free article. Review. French.

7

Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules.

Ruggiu F, Solov'ev V, Marcou G, Horvath D, Graton J, Le Questel JY, Varnek A. Ruggiu F, et al. Mol Inform. 2014 Jun;33(6-7):477-87. doi: 10.1002/minf.201400032. Epub 2014 Jun 17. Mol Inform. 2014. PMID: 27485986

8

The QSPR-THESAURUS: the online platform of the CADASTER project.

Brandmaier S, Peijnenburg W, Durjava MK, Kolar B, Gramatica P, Papa E, Bhhatarai B, Kovarich S, Cassani S, Roy PP, Rahmberg M, Öberg T, Jeliazkova N, Golsteijn L, Comber M, Charochkina L, Novotarskyi S, Sushko I, Abdelaziz A, D'Onofrio E, Kunwar P, Ruggiu F, Tetko IV. Brandmaier S, et al. Among authors: ruggiu f. Altern Lab Anim. 2014 Mar;42(1):13-24. doi: 10.1177/026119291404200104. Altern Lab Anim. 2014. PMID: 24773484 Free article.

9

Quantitative structure-property relationship modeling: a valuable support in high-throughput screening quality control.

Ruggiu F, Gizzi P, Galzi JL, Hibert M, Haiech J, Baskin I, Horvath D, Marcou G, Varnek A. Ruggiu F, et al. Anal Chem. 2014 Mar 4;86(5):2510-20. doi: 10.1021/ac403544k. Epub 2014 Feb 12. Anal Chem. 2014. PMID: 24479843

10

ISIDA Property-Labelled Fragment Descriptors.

Ruggiu F, Marcou G, Varnek A, Horvath D. Ruggiu F, et al. Mol Inform. 2010 Dec 17;29(12):855-68. doi: 10.1002/minf.201000099. Epub 2010 Dec 9. Mol Inform. 2010. PMID: 27464350

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