Scientific publications
Found 25 results

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Journal Article
Reitz M, Sacher O, Tarkhov A, Trümbach D, Gasteiger J. "Enabling the exploration of biochemical pathways." Organic & Biomolecular Chemistry. 2004;2(22):3226-3237.


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


Cherkasov A, Muratov EN, Fourches D, et al. "QSAR Modeling: Where Have You Been? Where Are You Going To?" Journal of Medicinal Chemistry. 2014;57(12):4977-5010. Abstract
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


Richard AM, Huang R, Waidyanatha S, et al. "The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology." Chemical Research in Toxicology. 2021;34(2):189-216.
Richard AM, Judson RS, Houck KA, et al. "ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology." Chemical Research in Toxicology. 2016;29(8):1225-1251.
Hardy B, Apic G, Carthew P, et al. "Toxicology ontology perspectives." ALTEX. 2012;29(2):139-156. Abstract