The Foundation for Successful AI-driven Drug Discovery Approach

5
dec
Biotech Center, Arvid Wallgrens Backe 20, Göteborg
15.30

IRL och Galecto Biotech hälsar välkommen till ett seminarium där Tudor Oprea, University of New Mexico presenterar fyra ämnen. För mer information och anmälan kontakta Fredrik Zetterberg, Galecto Biotech AB., tel +46 76 324 04 95

1. ”Illuminating the Druggable Genome”, an NIH project focused on accurate data wrangling, processing and analytics for target discovery. IDG shows that there is a knowledge deficit with respect to 2 out of 5 human proteins (see also this NRDD poster, http://www.nature.com/nrd/posters/druggablegenome/index.html). IDG data is available at https://pharos.nih.gov/idg/index
2. DrugCentral, an on-line compendium for drugs and drug targets, which can serve as basis for understanding the molecular basis of therapeutic action. Available at http://drugcentral.org/
3. The 3 pillars of AI-enabled drug discovery are: drugs, proteins and diseases. We will discuss some efforts in target prioritization for drug discovery based on systemic data integration.
4. InSilico Medicine (http://www.insilico.com/ ) is conducting EEG-based experiments to evaluate emotional responses of medicinal chemists when examining small molecules. This project will be briefly discussed. https://www.linkedin.com/feed/update/urn:li:activity:6330834128744837122

References:
Nelson SJ, Oprea TI*, Ursu O, Bologa CG, Zaveri A, Holmes J, Yang JJ, Mathias SL, Mani S, Tuttle MS, Dumontier M. Formalizing drug indications on the road to therapeutic intent. J Am. Med Inf Assoc, 2017, https://doi.org/10.1093/jamia/ocx064
Santos R, Ursu O, Gaulton A, Bento AP, Donadi RS, Bologa CG, Karlsson A, Al-Lazikani B, Hersey A, Oprea TI*, Overington JP*. A comprehensive map of molecular drug targets. Nat Rev Drug Discov. 2017 Jan;16(1):19-34; PubMed PMID: 27910877
Nguyen DT, Mathias S, Bologa C, Brunak S, Fernandez N, Gaulton A, Hersey A, Holmes J, Jensen LJ, Karlsson A, Liu G, Ma’ayan A, Mandava G, Mani S, Mehta S, Overington J, Patel J, Rouillard AD, Schürer S, Sheils T, Simeonov A, Sklar LA, Southall N, Ursu O, Vidovic D, Waller A, Yang J, Jadhav A, Oprea TI*, Guha R. Pharos: Collating protein information to shed light on the druggable genome. Nucleic Acids Res. 2017 Jan 4;45:D995-D1002;PubMed PMID: 27903890. PMCID:PMC5210555
Ursu O, Holmes J, Knockel J, Bologa CG, Yang JJ, Mathias SL, Nelson SJ, Oprea TI*. DrugCentral: online drug compendium. Nucleic Acids Res. 2017 Jan 4;45:D932-D939;PubMed PMID: 27789690. PMCID: PMC5210665 TI Oprea

http://datascience.unm.edu/ – about Translational Informatics Division
http://targetcentral.ws/ – about IDG Consortium
http://drugcentral.org/ – about the DrugCentral database
https://pharos.nih.gov/idg/ – about the TargetCentral database
https://www.linkedin.com/in/tudorioprea – LinkedIn profile
https://scholar.google.com/citations?hl=en&user=2O0vLx8AAAAJ – GoogleScholar profile