Scientific publications using our technology

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D

Da Costa FB, Terfloth L, Gasteiger J. "Sesquiterpene lactone-based classification of three Asteraceae tribes: a study based on self-organizing neural networks applied to chemosystematics." Phytochemistry. 2005;66(3):345-353. Abstract

CORINA, ADRIANA.Code, SONNIA

G

Gasteiger J, Teckentrup A, Terfloth L, Spycher S. "Neural networks as data mining tools in drug design." J. Phys. Org. Chem.. 2003;16(4):232-245. Abstract

CORINA, PETRA, SONNIA

Gasteiger J, Engel T. Chemoinformatics: A Textbook. Wiley-VCH; 2003.

Gasteiger J. Handbook of Chemoinformatics. From Data to Knowledge. Wiley-VCH; 2003.

H

Hu X, Yan A, Tan T, Sacher O, Gasteiger J. "Similarity Perception of Reactions Catalyzed by Oxidoreductases and Hydrolases Using Different Classification Methods." J. Chem. Inf. Model.. 2010;50(6):1089-1100.

BioPath, SONNIA

K

Kaiser D, Terfloth L, Kopp S, et al. "Self-Organizing Maps for Identification of New Inhibitors of P-Glycoprotein." J. Med. Chem.. 2007;50(7):1698-1702. Abstract

PETRA, AUTOCORR, SONNIA

Kastenmueller G, Gasteiger J, Mewes H-W. "An environmental perspective on large-scale genome clustering based on metabolic capabilities." Bioinformatics. 2008;24:i56-62. Abstract

BioPath

M

Michielan L, Terfloth L, Gasteiger J, Moro S. "Comparison of Multilabel and Single-Label Classification Applied to the Prediction of the Isoform Specificity of Cytochrome P450 Substrates." J. Chem. Inf. Model.. 2009;49(11):2588-2605. Abstract

ADRIANA.Code, SONNIA

Michielan L, Stephanie F, Terfloth L, et al. "Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study." J. Chem. Inf. Model.. 2009;49(12):2820-2836. Abstract

ADRIANA.Code, CORINA

S

Sacher O, Reitz M, Gasteiger J. "Investigations of Enzyme-Catalyzed Reactions Based on Physicochemical Descriptors Applied to Hydrolases." J. Chem. Inf. Model.. 2009;49:1525-1534. Abstract

BioPath

T

Terfloth L, Bienfait B, Gasteiger J. "Ligand-Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates." J. Chem. Inf. Model.. 2007;47(4):1688-1701. Abstract

isoCYP

W

Wagner S, Arce R, Murillo R, Terfloth L, Gasteiger J, Merfort I. "Neural Networks as Valuable Tools To Differentiate between Sesquiterpene Lactones’ Inhibitory Activity on Serotonin Release and on NF-κB." J. Med. Chem.. 2008;51(5):1324-1332. Abstract

CORINA, ADRIANA.Code, SONNIA

Wagner S, Hofmann A, Siedle B, Terfloth L, Merfort I, Gasteiger J. "Development of a Structural Model for NF-κB Inhibition of Sesquiterpene Lactones Using Self-Organizing Neural Networks." J. Med. Chem.. 2006;49(7):2241-2252. Abstract

CORINA, PETRA, SURFACE, ARDF, RCODE, SONNIA

Z

Zaliani A, Boda K, Seidel T, et al. "Second-generation de novo design: a view from a medicinal chemist perspective." J. Comput. Aided Mol. Des.. 2009;23(8):593-602. Abstract

SYLVIA