Chemoinformatics: A Textbook
Gasteiger J, Engel T. Chemoinformatics: A Textbook. Wiley-VCH; 2003.
Gasteiger J, Engel T. Chemoinformatics: A Textbook. Wiley-VCH; 2003.
Gasteiger J. Handbook of Chemoinformatics. From Data to Knowledge. Wiley-VCH; 2003.
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.
Reitz M, Sacher O, Tarkhov A, Trümbach D, Gasteiger J. “Enabling the exploration of biochemical pathways.” Organic & Biomolecular Chemistry. 2004;2(22):3226-3237.
Teckentrup A, Briem H, Gasteiger J. “Mining High-Throughput Screening Data of Combinatorial Libraries: Development of a Filter to Distinguish Hits from Nonhits.” J. Chem. Inf. Model.. 2004;44(2):626-634.
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.
Moro S, Bacilieri M, Ferrari C, Spalluto G. “Autocorrelation of molecular electrostatic potential surface properties combined with partial least squares analysis as alternative attractive tool to generate ligand-based 3D-QSARs.” Curr. Drug Disc. Tech.. 2005;2:13-21.
Moro S, Bacilieri M, Cacciari B, Spalluto G. “Autocorrelation of Molecular Electrostatic Potential Surface Properties Combined with Partial Least Squares Analysis as New Strategy for the Prediction of the Activity of Human A3 Adenosine Receptor Antagonists.” J. Med. Chem.. 2005;48:5698-5704.
Blower P, Cross K, Eichler G, Myatt G, Weinstein J, Yang C. “Comparison of Methods for Sequential Screening of Large Compound Sets.” Combinatorial Chemistry & High Throughput Screening. 2006;9(2):115-122.
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.
Altamira LLC
470 W Broad St, Unit #5007
Columbus, Ohio
43215, USA
Tel: +1 614 327 5196
Molecular Networks GmbH –
Computerchemie
Neumeyerstraße 22-34
90411 Nürnberg, Germany
Tel: +49 911 597 424 00
Fax: +49 911 597 424 09
© 2024 Molecular Networks GmbH, Germany and Altamira, LLC, USA. All rights reserved.
We use cookies on our website to enhance the user experience and to analyze traffic. We may share your site usage data with our analytics software providers. By clicking “Accept & Close,” you are consenting to the terms described on our Disclaimer page.