Bajorath J - Search Results

1

Prediction of Compound Profiling Matrices Using Machine Learning.

Rodríguez-Pérez R, Miyao T, Jasial S, Vogt M, Bajorath J. Rodríguez-Pérez R, et al. Among authors: bajorath j. ACS Omega. 2018 Apr 30;3(4):4713-4723. doi: 10.1021/acsomega.8b00462. ACS Omega. 2018. PMID: 30023899 Free PMC article.

2

Bayesian interpretation of a distance function for navigating high-dimensional descriptor spaces.

Vogt M, Godden JW, Bajorath J. Vogt M, et al. Among authors: bajorath j. J Chem Inf Model. 2007 Jan-Feb;47(1):39-46. doi: 10.1021/ci600280b. J Chem Inf Model. 2007. PMID: 17238247

3

Introduction of an information-theoretic method to predict recovery rates of active compounds for Bayesian in silico screening: theory and screening trials.

Vogt M, Bajorath J. Vogt M, et al. Among authors: bajorath j. J Chem Inf Model. 2007 Mar-Apr;47(2):337-41. doi: 10.1021/ci600418u. Epub 2007 Feb 16. J Chem Inf Model. 2007. PMID: 17302401

4

Introduction of a generally applicable method to estimate retrieval of active molecules for similarity searching using fingerprints.

Vogt M, Bajorath J. Vogt M, et al. Among authors: bajorath j. ChemMedChem. 2007 Sep;2(9):1311-20. doi: 10.1002/cmdc.200700090. ChemMedChem. 2007. PMID: 17562536

5

Bayesian screening for active compounds in high-dimensional chemical spaces combining property descriptors and molecular fingerprints.

Vogt M, Bajorath J. Vogt M, et al. Among authors: bajorath j. Chem Biol Drug Des. 2008 Jan;71(1):8-14. doi: 10.1111/j.1747-0285.2007.00602.x. Epub 2007 Dec 7. Chem Biol Drug Des. 2008. PMID: 18069988

6

Vogt M, Bajorath J. Vogt M, et al. Among authors: bajorath j. J Chem Inf Model. 2008 Feb;48(2):247-55. doi: 10.1021/ci700333t. Epub 2008 Jan 30. J Chem Inf Model. 2008. PMID: 18229907

7

Development of a fingerprint reduction approach for Bayesian similarity searching based on Kullback-Leibler divergence analysis.

Nisius B, Vogt M, Bajorath J. Nisius B, et al. Among authors: bajorath j. J Chem Inf Model. 2009 Jun;49(6):1347-58. doi: 10.1021/ci900087y. J Chem Inf Model. 2009. PMID: 19480403

8

Three-dimensional protein-ligand interaction scaling of two-dimensional fingerprints.

Tan L, Vogt M, Bajorath J. Tan L, et al. Among authors: bajorath j. Chem Biol Drug Des. 2009 Nov;74(5):449-56. doi: 10.1111/j.1747-0285.2009.00890.x. Epub 2009 Sep 28. Chem Biol Drug Des. 2009. PMID: 19793181

9

Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation.

Geppert H, Vogt M, Bajorath J. Geppert H, et al. Among authors: bajorath j. J Chem Inf Model. 2010 Feb 22;50(2):205-16. doi: 10.1021/ci900419k. J Chem Inf Model. 2010. PMID: 20088575 Review. No abstract available.

10

Design and evaluation of bonded atom pair descriptors.

Ahmed HE, Vogt M, Bajorath J. Ahmed HE, et al. Among authors: bajorath j. J Chem Inf Model. 2010 Apr 26;50(4):487-99. doi: 10.1021/ci900512g. J Chem Inf Model. 2010. PMID: 20232887

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