Carlsson L - Search Results

1

Computational derivation of structural alerts from large toxicology data sets.

Ahlberg E, Carlsson L, Boyer S. Ahlberg E, et al. Among authors: carlsson l. J Chem Inf Model. 2014 Oct 27;54(10):2945-52. doi: 10.1021/ci500314a. Epub 2014 Oct 13. J Chem Inf Model. 2014. PMID: 25275755

2

Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME.

Glem RC, Bender A, Arnby CH, Carlsson L, Boyer S, Smith J. Glem RC, et al. Among authors: carlsson l. IDrugs. 2006 Mar;9(3):199-204. IDrugs. 2006. PMID: 16523386

3

Reaction site mapping of xenobiotic biotransformations.

Boyer S, Arnby CH, Carlsson L, Smith J, Stein V, Glen RC. Boyer S, et al. Among authors: carlsson l. J Chem Inf Model. 2007 Mar-Apr;47(2):583-90. doi: 10.1021/ci600376q. Epub 2007 Feb 16. J Chem Inf Model. 2007. PMID: 17302400

4

Interpretation of nonlinear QSAR models applied to Ames mutagenicity data.

Carlsson L, Helgee EA, Boyer S. Carlsson L, et al. J Chem Inf Model. 2009 Nov;49(11):2551-8. doi: 10.1021/ci9002206. J Chem Inf Model. 2009. PMID: 19824682

5

A method for automated molecular optimization applied to Ames mutagenicity data.

Helgee EA, Carlsson L, Boyer S. Helgee EA, et al. Among authors: carlsson l. J Chem Inf Model. 2009 Nov;49(11):2559-63. doi: 10.1021/ci900221r. J Chem Inf Model. 2009. PMID: 19877655

6

Evaluation of quantitative structure-activity relationship modeling strategies: local and global models.

Helgee EA, Carlsson L, Boyer S, Norinder U. Helgee EA, et al. Among authors: carlsson l. J Chem Inf Model. 2010 Apr 26;50(4):677-89. doi: 10.1021/ci900471e. J Chem Inf Model. 2010. PMID: 20218538

7

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse.

Carlsson L, Spjuth O, Adams S, Glen RC, Boyer S. Carlsson L, et al. BMC Bioinformatics. 2010 Jul 1;11:362. doi: 10.1186/1471-2105-11-362. BMC Bioinformatics. 2010. PMID: 20594327 Free PMC article.

8

Integrated decision support for assessing chemical liabilities.

Spjuth O, Eklund M, Ahlberg Helgee E, Boyer S, Carlsson L. Spjuth O, et al. Among authors: carlsson l. J Chem Inf Model. 2011 Aug 22;51(8):1840-7. doi: 10.1021/ci200242c. Epub 2011 Aug 5. J Chem Inf Model. 2011. PMID: 21774475

9

AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment.

Stålring JC, Carlsson LA, Almeida P, Boyer S. Stålring JC, et al. J Cheminform. 2011 Jul 28;3:28. doi: 10.1186/1758-2946-3-28. J Cheminform. 2011. PMID: 21798025 Free PMC article.

10

Beyond the scope of Free-Wilson analysis: building interpretable QSAR models with machine learning algorithms.

Chen H, Carlsson L, Eriksson M, Varkonyi P, Norinder U, Nilsson I. Chen H, et al. Among authors: carlsson l. J Chem Inf Model. 2013 Jun 24;53(6):1324-36. doi: 10.1021/ci4001376. Epub 2013 Jun 12. J Chem Inf Model. 2013. PMID: 23789733

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