J Cheminform

Systematic exploration of multiple drug binding sites.

Bálint M, Jeszenői N, Horváth I, van der Spoel D, Hetényi C

J Cheminform 9 (1) 65 [2017-12-28; online 2017-12-28]

Affiliated researcher

Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles.

Lampa S, Alvarsson J, Spjuth O

J Cheminform 8 (-) 67 [2016-11-24; online 2016-11-24]

Affiliated researcher

XMetDB: an open access database for xenobiotic metabolism.

Spjuth O, Rydberg P, Willighagen EL, Evelo CT, Jeliazkova N

J Cheminform 8 (-) 47 [2016-09-15; online 2016-09-15]

Affiliated researcher

Large-scale ligand-based predictive modelling using support vector machines.

Alvarsson J, Lampa S, Schaal W, ..., Wikberg JE, Spjuth O

J Cheminform 8 (-) 39 [2016-08-10; online 2016-08-10]

Affiliated researcher