Linking Life Science Data: Design to Implementation, and Beyond
On February 19, 2016,
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In Community Workshops,Conferences,Project Meetings, By alasdair gray,astrazeneca,heriot-watt,maastricht,glaxosmithkline,bryn williams-jones,gerhard ecker,vienna,european bioinformatics institute,ebi,lee harland,imi,daniela digles,barend mons,lumc,paul groth,herman van vlijmen,janssen,openlink,carole goble,stefan senger,nick lynch,ryan miller,eli lilly,lilly,nuria queralt-rosinach,ferran sanz,manchester,barbara zdrazil,Edgar Jacoby,Jean-Marc Neefs,efpia,ann martin,foundation news,scibite,psmar,elsevier,george papadatos,embl-ebi,nuria queralt,luca bartek,derek marren,emily jamieson,tareq malas,lewis mervin,joseph mullen,pierre meulien,innovative medicines initiative,innomeds,theo meert,hugh williams,strathclyde,jana gurinova,glasgow,cambridge,newcastle upon tyne,jeremy yang,indiana,dean allemang,working ontologist , With Comments Off on 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
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…
Linking Life Science Data: Final speakers and agenda
On January 27, 2016,
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In News, By daniela digles,ryan miller,nuria queralt-rosinach,barbara zdrazil,developer news,researcher news,foundation news,george papadatos,nuria queralt,luca bartek,linking life science data,vienna 2016,emily jamieson,tareq malas,lewis mervin,joseph mullen , With Comments Off on Linking Life Science Data: Final speakers and agenda
There are just three weeks to go until our conference, Linking Life Science Data: From Design to Implementation, and Beyond. If you haven’t yet registered, attendance is free and there are still places available: Register now The conference will include a variety of expert speakers and open discussions on linking…
Conference: 11th German Conference on Chemoinformatics
On November 8, 2015,
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In Conferences, By barbara zdrazil,german conference on chemoinformatics,german conference on chemoinformatics 11 , With Comments Off on Conference: 11th German Conference on Chemoinformatics
11th German Conference on Chemoinformatics, Fulda, Germany Barbara Zdrazil (University of Vienna) presented a poster: Combining various open data sources for P-gp/BCRP selectivity profiling
Poster: Combining various open data sources for P-gp/BCRP selectivity profiling
On November 8, 2015,
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In Posters, By barbara zdrazil,german conference on chemoinformatics,german conference on chemoinformatics 11 , With Comments Off on Poster: Combining various open data sources for P-gp/BCRP selectivity profiling
11th German Conference on Chemoinformatics, Fulda, Germany View poster
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
Conference: Gordon Research Conference on Computer Aided Drug Design
On July 23, 2015,
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In Conferences, By vienna,barbara zdrazil,gordon,gordon research conference , With Comments Off on Conference: Gordon Research Conference on Computer Aided Drug Design
Gordon Research Conference on Computer Aided Drug Design, West Dover, USA Barbara Zdrazil (University of Vienna) presented a poster: Assessing multi target SAR by using pharmacological and pathway data from the public domain
Poster: Assessing multi target SAR by using pharmacological and pathway data from the public domain
On July 23, 2015,
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In Posters, By gerhard ecker,daniela digles,stefan senger,barbara zdrazil,Edgar Jacoby,gordon,gordon research conference , With Comments Off on 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: The Application of the Open Pharmacological Concepts Triple Store (Open PHACTS) to Support Drug Discovery Research
On December 18, 2014,
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In Publications, By ronald siebes,gerhard ecker,chris evelo,christine chichester,daniela digles,andra waagmeester,stefan senger,barbara zdrazil,Edgar Jacoby,Emiliano Cuadrado Rodríguez,plos one,Lars Richter,Joseline Ratnam,Jean-Marc Neefs,Hannah Tipney,Glyn Bradley,Chau Han Chau,Jose Brea,Maria Isabel Loza,plos , With Comments Off on 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…
Publication: Transporter assays and assay ontologies: useful tools for drug discovery
On April 5, 2014,
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In Publications, By anna gaulton,christine chichester,linda zander-balderud,john overington,ola engkvist,drug discovery today,barbara zdrazil , With Comments Off on Publication: Transporter assays and assay ontologies: useful tools for drug discovery
Transport proteins represent an eminent class of drug targets and ADMET (absorption, distribution, metabolism, excretion, toxicity) associated genes. There exists a large number of distinct activity assays for transport proteins, depending on not only the measurement needed (e.g. transport activity, strength of ligand–protein interaction), but also due to heterogeneous assay…
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…
Publication: Scientific requirements for the next generation semantic web-based chemogenomics and systems chemical biology molecular information system OPS
On December 3, 2013,
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In Publications, By gerhard ecker,antony williams,lee harland,christine chichester,stefan senger,matthias rarey,niklas blomberg,olivier taboureau,barbara zdrazil,jordi mestres,Marta Pinto,Kamal Azzaoui,Edgar Jacoby,Emiliano Cuadrado Rodríguez,Mabel Loza,Victor de la Torre,computational chemogenomics , With Comments Off on 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…
Publication: Scientific competency questions as the basis for semantically enriched open pharmacological space development
On May 20, 2013,
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In Publications, By bryn williams-jones,gerhard ecker,antony williams,lee harland,christine chichester,steve pettifer,stefan senger,matthias rarey,manuel pastor,niklas blomberg,olivier taboureau,drug discovery today,barbara zdrazil,jordi mestres,Marta Pinto,Kamal Azzaoui,Edgar Jacoby,Emiliano Cuadrado Rodríguez,Mabel Loza,Victor de la Torre , With Comments Off on Publication: Scientific competency questions as the basis for semantically enriched open pharmacological space development
Molecular information systems play an important part in modern data-driven drug discovery. They do not only support decision making but also enable new discoveries via association and inference. In this review, we outline the scientific requirements identified by the Innovative Medicines Initiative (IMI) Open PHACTS consortium for the design of…
Publication: Molecular Informatics Special Issue: Open Innovation in Drug Discovery
On August 15, 2012,
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In Publications, By bryn williams-jones,gerhard ecker,antony williams,christine chichester,linda zander-balderud,katrin stierand,john overington,ola engkvist,tim harder,christian lemmen,matthias rarey,oriol massaguer,niklas blomberg,sean ekins,molecular informatics,barbara zdrazil,maria carracosa,jordi mestres,thomas marek,Matthias Hilbig,Marta Pinto,Michael Trauner,Mats Eriksson,Ingemar Nilsson,Thierry Kogej,Christopher Southan,Martin Johansson,Christian Tyrchan,Sorel Muresan,marcus bjareland,alex clark,Poongavanam Vasanthanathan,Anne Hersey , With Comments Off on Publication: Molecular Informatics Special Issue: Open Innovation in Drug Discovery
Several publications about Open PHACTS were included in this Special Issue of Molecular Informatics. Open Innovation in Drug Discovery. Gerhard F. Ecker, Bryn Williams-Jones; Molecular Informatics 31: 519–520 Taking Open Innovation to the Molecular Level – Strengths and Limitations. Barbara Zdrazil, Niklas Blomberg, Gerhard F. Ecker; Molecular Informatics 31: 528–535 PharmaTrek: A Semantic Web Explorer for Open Innovation in Multitarget…