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 analysis. Both ligand-based and structure-based Read more about Publication: Scientific requirements for the next generation semantic web-based chemogenomics and systems chemical biology molecular information system OPS[…]

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 an open pharmacological space (OPS) Read more about Publication: Scientific competency questions as the basis for semantically enriched open pharmacological space development[…]

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 Drug Discovery. Maria C. Carrascosa, Oriol L. Read more about Publication: Molecular Informatics Special Issue: Open Innovation in Drug Discovery[…]

Announcing Open PHACTS Workshop at EuroQSAR 2012

EuroQSAR 2012 in Vienna Open PHACTS Workshop “Introducing Open PHACTS” Thursday 30 August, 13:30-14:45 Presenters : L. Harland, P. Groth, C. Lemmen, L. Wich, J. Mestres, V. de la Torre This workshop will publicly present the first results of the IMI project Open PHACTS, which is producing an open, integrated and sustainable knowledge resource for Read more about Announcing Open PHACTS Workshop at EuroQSAR 2012[…]