search

Total posts by Vrije Universiteit Brussel: 5

publication · 9 months ago
Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?
by Yunierkis Pérez-Castillo, Maykel Cruz-Monteagudo, Cosmin Lazar, Jonatan Taminau, Mathy Froeyen, Miguel Ángel Cabrera-Pérez, Ann Nowé (Vrije Universiteit Brussel)
publication · 6 years ago
Modelling Heterocyclic Azo Dye Affinities for Cellulose Fibres by Computational Approaches
by Simona Funar-Timofei, Walter M.F. Fabian, Ludovic Kurunczi, Mohammad Goodarzi, Syed Tahir Ali, Yvan Vander Heyden (Vrije Universiteit Brussel, Victor Babes University of Medicine and Pharmacy Timisoara, Federal Urdu University of Arts Science & Technology Pakistan, Karl-Franzens Universität Graz, Institute of Chemistry of the Romanian Academy Timisoara)
publication · 6 years ago
Ester prodrugs of ciprofloxacin as DNA-gyrase inhibitors: synthesis, antiparasitic evaluation and docking studies
by Bruno Pradines, Christophe Biot, Faustine Dubar, René Wintjens, Rossiane C. Vommaro, Érica S. Martins-Duarte, Wanderley de Souza, Daniel Dive, Christine Pierrot, Alexandre Wohlkonig, Jamal Khalife (Vrije Universiteit Brussel, Universidade Federal do Rio de Janeiro, Institut de Recherche Biomédical des Armées, Université de Lille)
publication · 7 years ago
Classification Tree Models for the Prediction of Blood?Brain Barrier Passage of Drugs
by Eric Deconinck, Menghui H. Zhang, Danny Coomans, Yvan Vander Heyden (Vrije Universiteit Brussel)
publication · 7 years ago
Boosted regression trees, multivariate adaptive regression splines and their two-step combinations with multiple linear regression or partial least squares to predict blood-brain barrier passage: A case study
by Ismail Ijjaali, François Petitet, Elodie Dubus, Eric Deconinck, Menghui H. Zhang, Danny Coomans, Yvan Vander Heyden (Vrije Universiteit Brussel)