Conference: Freie Universität Berlin Pharmaceutical Research Colloquium

On February 24, 2016, Posted by , In Conferences, By ,, , With No Comments

Freie Universität Berlin Pharmaceutical Research Colloquium, Winter Semester 2015/2016, Berlin, Germany Gerhard Ecker (University of Vienna) gave a presentation: The power of open data – Linking transporter interaction profiles to in vivo toxicity

Presentation: The power of open data – Linking transporter interaction profiles to in vivo toxicity

Freie Universität Berlin Pharmaceutical Research Colloquium, Winter Semester 2015/2016, Berlin, Germany Gerhard Ecker (University of Vienna) View presentation

Linking Life Science Data: Design to Implementation, and Beyond

Open PHACTS project closing conference (Vienna, Austria)

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…

Open PHACTS Newsletter 8

Contents API 2.0 is here Decommissioning API 1.4 Upcoming conference: Linking Life Science Data New Foundation member: University of Vienna View newsletter Sign up for the Open PHACTS Newsletter

New Foundation Member: University of Vienna

On February 3, 2016, Posted by , In News, By ,,, , With No Comments

A long-time partner of the Open PHACTS project, the University of Vienna has committed to supporting the Open PHACTS Foundation as our first academic member. Professor Gerhard Ecker and his colleagues bring a wealth of expertise and experience in linked pharmacological data to the Foundation, and we are excited about…

Press Release: Open PHACTS wins Linked Open Data Award in inaugural European Linked Data Contest

On September 18, 2015, Posted by , In Press Releases, By ,,, , With No Comments

(PDF) Vienna, Austria – The Open PHACTS consortium is proud to have been awarded first prize in the Linked Open Data Award category of the European Linked Data Contest (ELDC). The ELDC has been established to recognise Europe’s crème de la crème of linked data and semantic web achievements. Prizes are awarded…

Open PHACTS wins the European Linked Data Contest

Open PHACTS has been awarded first place in the Linked Open Data Award of the inaugural European Linked Data Contest (ELDC).

Presentation: Topliss batchwise scheme reviewed in the era of Open Data

On August 20, 2015, Posted by , In Presentations, By ,,, , With No Comments

250th ACS National Meeting & Exposition, Boston, USA Gerhard Ecker (University of Vienna) View presentation

Conference: 250th ACS National Meeting & Exposition

250th ACS National Meeting & Exposition, Boston, USA Richard Kidd (Royal Society of Chemistry) gave a presentation: Workflow-based data integration for drug discovery Gerhard Ecker (University of Vienna) gave a presentation: Topliss batchwise scheme reviewed in the era of Open Data George Papadatos (EMBL-EBI) gave a presentation: SureChEMBL: An open patent chemistry…

Poster: Assessing multi target SAR by using pharmacological and pathway data from the public domain

Gordon Research Conference on Computer Aided Drug Design, West Dover, USA View poster

Publication: Medicinal chemistry in the era of big data

In the era of big data medicinal chemists are exposed to an enormous amount of bioactivity data. Numerous public data sources allow for querying across medium to large data sets mostly compiled from literature. However, the data available are still quite incomplete and of mixed quality. This mini review will…

Publication: The Application of the Open Pharmacological Concepts Triple Store (Open PHACTS) to Support Drug Discovery Research

Integration of open access, curated, high-quality information from multiple disciplines in the Life and Biomedical Sciences provides a holistic understanding of the domain. Additionally, the effective linking of diverse data sources can unearth hidden relationships and guide potential research strategies. However, given the lack of consistency between descriptors and identifiers…

Conference: EFMC-ISMC 2014

EFMC-ISMC 2014, XXIII International Symposium on Medicinal Chemistry, Lisbon, Portugal Gerhard Ecker (University of Vienna) gave a presentation: The Open PHACTS Discovery Platform – Semantic Data Integration of Medicinal Chemists

Presentation: The Open PHACTS Discovery Platform – Semantic Data Integration of Medicinal Chemists

EFMC-ISMC 2014, XXIII International Symposium on Medicinal Chemistry, Lisbon, Portugal Gerhard Ecker (University of Vienna) View presentation

Conference: 20th EuroQSAR

20th EuroQSAR, Understanding Chemical-Biological Interactions, St Petersburg, Russia Gerhard Ecker (University of Vienna) gave a presentation: Open PHACTS – The use of open data for in silico models

Presentation: Open PHACTS – The use of open data for in silico models

On September 4, 2014, Posted by , In Presentations, By ,,, , With No Comments

20th EuroQSAR, Understanding Chemical-Biological Interactions, St Petersburg, Russia Gerhard Ecker (University of Vienna) View presentation

Press Release: Open PHACTS Foundation announces first three members: GSK, Janssen and Roche

On June 24, 2014, Posted by , In Press Releases, By ,,,, , With Comments Off on Press Release: Open PHACTS Foundation announces first three members: GSK, Janssen and Roche

(PDF) Cambridge, UK – The not-for-profit Open PHACTS Foundation announced its first three members today – GlaxoSmithKline, Janssen and Roche – who will steer the future of the successor organisation to the Innovative Medicines Initiative (IMI)- funded Open PHACTS project. The commitment by these global pharmaceutical industry members signifies a major…

Conference: 8th Drug Design & Medicinal Chemistry Conference

8th Drug Design & Medicinal Chemistry Conference, Berlin, Germany Gerhard Ecker (University of Vienna) represented Open PHACTS

Conference: CCG UGM & Conference 2014 Europe

On April 25, 2014, Posted by , In Conferences, By ,,, , With No Comments

CCG UGM & Conference 2014 Europe, Strasbourg, France Gerhard Ecker (University of Vienna) represented Open PHACTS

Publication: Transporter taxonomy – a comparison of different transport protein classification schemes

Currently, there are more than 800 well characterized human membrane transport proteins (including channels and transporters) and there are estimates that about 10% (approx. 2000) of all human genes are related to transport. Membrane transport proteins are of interest as potential drug targets, for drug delivery, and as a cause…

Conference: SSPT Spring Meeting 2014

Swiss Society of Pharmacology and Toxicology Spring Meeting 2014, Bern, Switzerland Gerhard Ecker (University of Vienna) gave a presentation: Open PHACTS – Building an open pharmacological space

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…

Poster: Answering drug-discovery research questions with Open PHACTS and KNIME

On February 28, 2014, Posted by , In Posters, By ,, , With No Comments

47th Scientific training event for pharmacists,Schladming, Austria View poster

Publication: Toxins in transit

The Pharmacoinformatics Research Group seeks to further understanding of transporter proteins and their interactions with drugs, with a particular focus on multidrug resistance in cancer. The development of the eTOX and Open PHACTS databases should encourage greater integration of pharmacoinformatics datasets so that more efficient in silico models can be…

Presentation: Experimental data guided docking allows to elucidate the molecular basis of drug-transporter interaction

Pharma IndoChina VIII, Ho Chi Minh City, Vietnam Gerhard Ecker (University of Vienna) View presentation

Conference: Pharma IndoChina VIII

Pharma IndoChina VIII, Ho Chi Minh City, Vietnam Gerhard Ecker (University of Vienna) gave a presentation: Experimental data guided docking allows to elucidate the molecular basis of drug-transporter interaction 

Publication: Scientific requirements for the next generation semantic web-based chemogenomics and systems chemical biology molecular information system OPS

This book focuses on applications of compound library design and virtual screening to expand the bioactive chemical space, to target hopping of chemotypes to identify synergies within related drug discovery projects or to repurpose known drugs, to propose mechanism of action of compounds, or to identify off-target effects by cross-reactivity…

Presentation: Open PHACTS: A novel platform for integrated data-driven drug discovery

Europin Summer School in Drug Design, Vienna, Austria Gerhard Ecker (University of Vienna) View presentation

Conference: Europin Summer School in Drug Design

Europin Summer School in Drug Design, Vienna, Austria Christian Lemmen (University of Hamburg) presented ChemBioNavigator, and Gerhard Ecker (University of Vienna) gave a presentation: Open PHACTS: A novel platform for integrated data-driven drug discovery