Publication: Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning
On February 4, 2016,
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In Publications, By gerhard ecker,daniela digles,barbara zdrazil,Floriane Montanari,journal of cheminformatics , With Comments Off on Publication: Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning
The human ATP binding cassette transporters Breast Cancer Resistance Protein (BCRP) and Multidrug Resistance Protein 1 (P-gp) are co-expressed in many tissues and barriers, especially at the blood–brain barrier and at the hepatocyte canalicular membrane. Understanding their interplay in affecting the pharmacokinetics of drugs is of prime interest. In silico…
Conference: 8th SFB35 Symposium 2015
On September 9, 2015,
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In Conferences, By barbara zdrazil,Floriane Montanari,SFB,University of Vienna , With Comments Off on Conference: 8th SFB35 Symposium 2015
8th SFB35 Symposium 2015, Vienna, Austria Floriane Montanari and Barbara Zdrazil (University of Vienna) presented a poster: Discriminating P-gp from BCRP inhibitory activity by multi-class classification models
Publication: Exploiting open data: a new era in pharmacoinformatics
On March 1, 2014,
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In Publications, By gerhard ecker,barbara zdrazil,Daria Goldmann,Floriane Montanari,Lars Richter,future medicinal chemistry , With Comments Off on Publication: Exploiting open data: a new era in pharmacoinformatics
Within the last decade open data concepts has been gaining increasing interest in the area of drug discovery. With the launch of ChEMBL and PubChem, an enormous amount of bioactivity data was made easily accessible to the public domain. In addition, platforms that semantically integrate those data, such as the…