Prediction of pH-Dependent Aqueous Solubility of Druglike Molecules. - Niclas Tue Hansen; Irene Kouskoumvekaki; Flemming Steen Jørgensen; Søren Brunak; Svava Ósk Jónsdóttir (J. Chem. Inf. Model., 2006)

Identification of biomarkers for genotyping Aspergilli using non-linear methods for clustering and classification. - Irene Kouskoumvekaki; Zhiyong Yang; Svava Ósk Jónsdóttir; Lisbeth Olsson; Gianni Panagiotou (BMC Bioinform., 2008)

Pharmacophore-driven identification of PPARγ agonists from natural sources. - Rasmus K. Petersen; Kathrine B. Christensen; Andreana N. Assimopoulou; Xavier Fretté; Vassilios P. Papageorgiou; Karsten Kristiansen; Irene Kouskoumvekaki (J. Comput. Aided Mol. Des., 2011)

ChemProt: a disease chemical biology database. - Olivier Taboureau; Sonny Kim Nielsen; Karine Audouze; Nils Weinhold; Daniel Edsgärd; Francisco S. Roque; Irene Kouskoumvekaki; Alina Bora; Ramona Curpan; Thomas Skøt Jensen; Søren Brunak; Tudor I. Oprea (Nucleic Acids Res., 2011)

Discovery of a Novel Selective PPARγ Ligand with Partial Agonist Binding Properties by Integrated in Silico/in Vitro Work Flow. - Irene Kouskoumvekaki; Rasmus K. Petersen; Filip Fratev; Olivier Taboureau; Thomas E. Nielsen; Tudor I. Oprea; Si B. Sonne; Esben N. Flindt; Svava Ósk Jónsdóttir; Karsten Kristiansen (J. Chem. Inf. Model., 2013)

ChemProt-2.0: visual navigation in a disease chemical biology database. - Sonny Kim Kjærulff; Louis Wich; Jens Kringelum; Ulrik Plesner Jacobsen; Irene Kouskoumvekaki; Karine Audouze; Ole Lund; Søren Brunak; Tudor I. Oprea; Olivier Taboureau (Nucleic Acids Res., 2013)

Facilitating the use of large-scale biological data and tools in the era of translational bioinformatics. - Irene Kouskoumvekaki; Nour Shublaq; Søren Brunak (Briefings Bioinform., 2014)

Integrated Text Mining and Chemoinformatics Analysis Associates Diet to Health Benefit at Molecular Level. - Kasper Jensen; Gianni Panagiotou; Irene Kouskoumvekaki (PLoS Comput. Biol., 2014)

NutriChem: a systems chemical biology resource to explore the medicinal value of plant-based foods. - Kasper Jensen; Gianni Panagiotou; Irene Kouskoumvekaki (Nucleic Acids Res., 2015)

Developing a Molecular Roadmap of Drug-Food Interactions. - Kasper Jensen; Yueqiong Ni; Gianni Panagiotou; Irene Kouskoumvekaki (PLoS Comput. Biol., 2015)

NutriChem 2.0: exploring the effect of plant-based foods on human health and drug efficacy. - Yueqiong Ni; Kasper Jensen; Irene Kouskoumvekaki; Gianni Panagiotou (Database J. Biol. Databases Curation, 2017)