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ORCIDCatrin Hasselgren Arnby
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Journal Articles
- 2014
[j5]Marko Toplak
, Rok Mocnik, Matija Polajnar, Zoran Bosnic, Lars Carlsson, Catrin Hasselgren Arnby, Janez Demsar, Scott Boyer, Blaz Zupan, Jonna C. Stålring:
Assessment of Machine Learning Reliability Methods for Quantifying the Applicability Domain of QSAR Regression Models. J. Chem. Inf. Model. 54(2): 431-441 (2014)- 2013
- [j4]Jonna C. Stålring, Pedro Almeida, Lars Carlsson, Ernst Ahlberg Helgee, Catrin Hasselgren Arnby, Scott Boyer:
Localized Heuristic Inverse Quantitative Structure Activity Relationship with Bulk Descriptors Using Numerical Gradients. J. Chem. Inf. Model. 53(8): 2001-2017 (2013) - 2007
- [j3]Claire L. Gavaghan, Catrin Hasselgren Arnby, Niklas Blomberg, Gert Strandlund, Scott Boyer:
Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data. J. Comput. Aided Mol. Des. 21(4): 189-206 (2007) - [j2]Matthew Paul Gleeson, Andrew M. Davis, Kamaldeep K. Chohan, Stuart Paine, Scott Boyer, Claire L. Gavaghan, Catrin Hasselgren Arnby, Cecilia Kankkonen, Nan Albertson:
Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models. J. Comput. Aided Mol. Des. 21(10-11): 559-573 (2007) - [j1]Scott Boyer, Catrin Hasselgren Arnby, Lars Carlsson, James Smith, Viktor Stein, Robert C. Glen:
Reaction Site Mapping of Xenobiotic Biotransformations. J. Chem. Inf. Model. 47(2): 583-590 (2007)
Conference and Workshop Papers
- 2015
- [c1]Ernst Ahlberg, Ola Spjuth, Catrin Hasselgren, Lars Carlsson:
Interpretation of Conformal Prediction Classification Models. SLDS 2015: 323-334
Informal and Other Publications
- 2023
- [i1]Catrin Hasselgren, Tudor I. Oprea:
Artificial Intelligence for Drug Discovery: Are We There Yet? CoRR abs/2307.06521 (2023)
Coauthor Index
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