Cuissart B - Search Results

1

Deciphering a Pharmacophore Network: A Case Study Using BCR-ABL Data.

Geslin D, Lepailleur A, Manguin JL, Vo NV, Lamotte JL, Cuissart B, Bureau R. Geslin D, et al. Among authors: cuissart b. J Chem Inf Model. 2022 Feb 14;62(3):678-691. doi: 10.1021/acs.jcim.1c00427. Epub 2022 Jan 26. J Chem Inf Model. 2022. PMID: 35080879

2

The maximum common substructure as a molecular depiction in a supervised classification context: experiments in quantitative structure/biodegradability relationships.

Cuissart B, Touffet F, Crémilleux B, Bureau R, Rault S. Cuissart B, et al. J Chem Inf Comput Sci. 2002 Sep-Oct;42(5):1043-52. doi: 10.1021/ci020017w. J Chem Inf Comput Sci. 2002. PMID: 12376991

3

Introduction of jumping fragments in combination with QSARs for the assessment of classification in ecotoxicology.

Lozano S, Poezevara G, Halm-Lemeille MP, Lescot-Fontaine E, Lepailleur A, Bissell-Siders R, Crémilleux B, Rault S, Cuissart B, Bureau R. Lozano S, et al. Among authors: cuissart b. J Chem Inf Model. 2010 Aug 23;50(8):1330-9. doi: 10.1021/ci100092x. J Chem Inf Model. 2010. PMID: 20726596

4

Discovering structural alerts for mutagenicity using stable emerging molecular patterns.

Métivier JP, Lepailleur A, Buzmakov A, Poezevara G, Crémilleux B, Kuznetsov SO, Le Goff J, Napoli A, Bureau R, Cuissart B. Métivier JP, et al. Among authors: cuissart b. J Chem Inf Model. 2015 May 26;55(5):925-40. doi: 10.1021/ci500611v. Epub 2015 May 7. J Chem Inf Model. 2015. PMID: 25871768

5

A Computational Selection of Metabolite Biomarkers Using Emerging Pattern Mining: A Case Study in Human Hepatocellular Carcinoma.

Poezevara G, Lozano S, Cuissart B, Bureau R, Bureau P, Croixmarie V, Vayer P, Lepailleur A. Poezevara G, et al. Among authors: cuissart b. J Proteome Res. 2017 Jun 2;16(6):2240-2249. doi: 10.1021/acs.jproteome.7b00054. Epub 2017 May 3. J Proteome Res. 2017. PMID: 28447453

6

Non a Priori Automatic Discovery of 3D Chemical Patterns: Application to Mutagenicity.

Rabatel J, Fannes T, Lepailleur A, Le Goff J, Crémilleux B, Ramon J, Bureau R, Cuissart B. Rabatel J, et al. Among authors: cuissart b. Mol Inform. 2017 Oct;36(10). doi: 10.1002/minf.201700022. Epub 2017 Jun 7. Mol Inform. 2017. PMID: 28590546

7

The Pharmacophore Network: A Computational Method for Exploring Structure-Activity Relationships from a Large Chemical Data Set.

Métivier JP, Cuissart B, Bureau R, Lepailleur A. Métivier JP, et al. Among authors: cuissart b. J Med Chem. 2018 Apr 26;61(8):3551-3564. doi: 10.1021/acs.jmedchem.7b01890. Epub 2018 Apr 18. J Med Chem. 2018. PMID: 29648816

8

New Pharmacophore Fingerprints and Weight-matrix Learning for Virtual Screening. Application to Bcr-Abl Data.

Rehioui H, Cuissart B, Ouali A, Lepailleur A, Lamotte JL, Bureau R, Zimmermann A. Rehioui H, et al. Among authors: cuissart b. Mol Inform. 2023 Jan;42(1):e2200210. doi: 10.1002/minf.202200210. Epub 2022 Nov 4. Mol Inform. 2023. PMID: 36221998

9

Automated detection of toxicophores and prediction of mutagenicity using PMCSFG algorithm.

Schietgat L, Cuissart B, De Grave K, Efthymiadis K, Bureau R, Crémilleux B, Ramon J, Lepailleur A. Schietgat L, et al. Among authors: cuissart b. Mol Inform. 2023 Mar;42(3):e2200232. doi: 10.1002/minf.202200232. Epub 2023 Feb 2. Mol Inform. 2023. PMID: 36529710

10

Towards a partial order graph for interactive pharmacophore exploration: extraction of pharmacophores activity delta.

Lehembre E, Giovannini J, Geslin D, Lepailleur A, Lamotte JL, Auber D, Ouali A, Cremilleux B, Zimmermann A, Cuissart B, Bureau R. Lehembre E, et al. Among authors: cuissart b. J Cheminform. 2023 Nov 29;15(1):116. doi: 10.1186/s13321-023-00782-0. J Cheminform. 2023. PMID: 38031134 Free PMC article.

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