Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data. - Claire L. Gavaghan; Catrin Hasselgren Arnby; Niklas Blomberg; Gert Strandlund; Scott Boyer (J. Comput. Aided Mol. Des., 2007)

Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models. - Matthew Paul Gleeson; Andrew M. Davis; Kamaldeep K. Chohan; Stuart Paine; Scott Boyer; Claire L. Gavaghan; Catrin Hasselgren Arnby; Cecilia Kankkonen; Nan Albertson (J. Comput. Aided Mol. Des., 2007)

Reaction Site Mapping of Xenobiotic Biotransformations. - Scott Boyer; Catrin Hasselgren Arnby; Lars Carlsson; James Smith 002; Viktor Stein; Robert C. Glen (J. Chem. Inf. Model., 2007)

Localized Heuristic Inverse Quantitative Structure Activity Relationship with Bulk Descriptors Using Numerical Gradients. - Jonna C. Stålring; Pedro Almeida; Lars Carlsson; Ernst Ahlberg Helgee; Catrin Hasselgren Arnby; Scott Boyer (J. Chem. Inf. Model., 2013)

Assessment of Machine Learning Reliability Methods for Quantifying the Applicability Domain of QSAR Regression Models. - Marko Toplak; Rok Mocnik; Matija Polajnar; Zoran Bosnic; Lars Carlsson; Catrin Hasselgren Arnby; Janez Demsar; Scott Boyer; Blaz Zupan; Jonna C. Stålring (J. Chem. Inf. Model., 2014)

Interpretation of Conformal Prediction Classification Models. - Ernst Ahlberg; Ola Spjuth; Catrin Hasselgren; Lars Carlsson (SLDS, 2015)

Artificial Intelligence for Drug Discovery: Are We There Yet? - Catrin Hasselgren; Tudor I. Oprea (CoRR, 2023)