Schuffenhauer A - Search Results

1

The scaffold tree: an efficient navigation in the scaffold universe.

Ertl P, Schuffenhauer A, Renner S. Ertl P, et al. Among authors: schuffenhauer a. Methods Mol Biol. 2011;672:245-60. doi: 10.1007/978-1-60761-839-3_10. Methods Mol Biol. 2011. PMID: 20838972 Review.

2

Complex molecules: do they add value?

Selzer P, Roth HJ, Ertl P, Schuffenhauer A. Selzer P, et al. Among authors: schuffenhauer a. Curr Opin Chem Biol. 2005 Jun;9(3):310-6. doi: 10.1016/j.cbpa.2005.04.001. Curr Opin Chem Biol. 2005. PMID: 15939334 Review.

3

Charting biologically relevant chemical space: a structural classification of natural products (SCONP).

Koch MA, Schuffenhauer A, Scheck M, Wetzel S, Casaulta M, Odermatt A, Ertl P, Waldmann H. Koch MA, et al. Among authors: schuffenhauer a. Proc Natl Acad Sci U S A. 2005 Nov 29;102(48):17272-7. doi: 10.1073/pnas.0503647102. Epub 2005 Nov 21. Proc Natl Acad Sci U S A. 2005. PMID: 16301544 Free PMC article.

4

Relationships between Molecular Complexity, Biological Activity, and Structural Diversity.

Schuffenhauer A, Brown N, Selzer P, Ertl P, Jacoby E. Schuffenhauer A, et al. J Chem Inf Model. 2006 Mar-Apr;46(2):525-35. doi: 10.1021/ci0503558. J Chem Inf Model. 2006. PMID: 16562980

5

Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds.

Ertl P, Jelfs S, Mühlbacher J, Schuffenhauer A, Selzer P. Ertl P, et al. Among authors: schuffenhauer a. J Med Chem. 2006 Jul 27;49(15):4568-73. doi: 10.1021/jm060217p. J Med Chem. 2006. PMID: 16854061

6

Introducing the consensus modeling concept in genetic algorithms: application to interpretable discriminant analysis.

Ganguly M, Brown N, Schuffenhauer A, Ertl P, Gillet VJ, Greenidge PA. Ganguly M, et al. Among authors: schuffenhauer a. J Chem Inf Model. 2006 Sep-Oct;46(5):2110-24. doi: 10.1021/ci050529l. J Chem Inf Model. 2006. PMID: 16995742

7

The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification.

Schuffenhauer A, Ertl P, Roggo S, Wetzel S, Koch MA, Waldmann H. Schuffenhauer A, et al. J Chem Inf Model. 2007 Jan-Feb;47(1):47-58. doi: 10.1021/ci600338x. J Chem Inf Model. 2007. PMID: 17238248

8

Clustering and rule-based classifications of chemical structures evaluated in the biological activity space.

Schuffenhauer A, Brown N, Ertl P, Jenkins JL, Selzer P, Hamon J. Schuffenhauer A, et al. J Chem Inf Model. 2007 Mar-Apr;47(2):325-36. doi: 10.1021/ci6004004. Epub 2007 Feb 8. J Chem Inf Model. 2007. PMID: 17286395

9

Natural product-likeness score and its application for prioritization of compound libraries.

Ertl P, Roggo S, Schuffenhauer A. Ertl P, et al. Among authors: schuffenhauer a. J Chem Inf Model. 2008 Jan;48(1):68-74. doi: 10.1021/ci700286x. Epub 2007 Nov 23. J Chem Inf Model. 2008. PMID: 18034468

10

Cheminformatics analysis of natural products: lessons from nature inspiring the design of new drugs.

Ertl P, Schuffenhauer A. Ertl P, et al. Among authors: schuffenhauer a. Prog Drug Res. 2008;66:217, 219-35. doi: 10.1007/978-3-7643-8595-8_4. Prog Drug Res. 2008. PMID: 18416307 Review.

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