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Journal Articles
- 2021
[j9]Lewis H. Mervin
, Maria-Anna Trapotsi, Avid M. Afzal, Ian P. Barrett, Andreas Bender, Ola Engkvist:
Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty. J. Cheminformatics 13(1): 62 (2021)- [j8]Maria-Anna Trapotsi, Lewis H. Mervin, Avid M. Afzal, Noé Sturm, Ola Engkvist, Ian P. Barrett, Andreas Bender:
Comparison of Chemical Structure and Cell Morphology Information for Multitask Bioactivity Predictions. J. Chem. Inf. Model. 61(3): 1444-1456 (2021) - 2020
- [j7]Lewis H. Mervin, Avid M. Afzal, Ola Engkvist, Andreas Bender:
Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions. J. Chem. Inf. Model. 60(10): 4546-4559 (2020) - 2018
- [j6]Lewis H. Mervin, Krishna C. Bulusu, Leen Kalash, Avid M. Afzal, Fredrik Svensson, Mike A. Firth, Ian P. Barrett, Ola Engkvist, Andreas Bender:
Orthologue chemical space and its influence on target prediction. Bioinform. 34(1): 72-79 (2018) - [j5]Fredrik Svensson, Avid M. Afzal, Ulf Norinder, Andreas Bender:
Maximizing gain in high-throughput screening using conformal prediction. J. Cheminformatics 10(1): 7:1-7:10 (2018) - 2015
- [j4]Avid M. Afzal, Hamse Y. Mussa, Richard E. Turner, Andreas Bender, Robert C. Glen:
A multi-label approach to target prediction taking ligand promiscuity into account. J. Cheminformatics 7: 24:1-24:14 (2015) - [j3]Lewis H. Mervin, Avid M. Afzal, Georgios Drakakis, Richard Lewis, Ola Engkvist, Andreas Bender:
Target prediction utilising negative bioactivity data covering large chemical space. J. Cheminformatics 7: 51:1-51:16 (2015) - [j2]Hamse Y. Mussa, John B. O. Mitchell, Avid M. Afzal:
The Parzen Window method: In terms of two vectors and one matrix. Pattern Recognit. Lett. 63: 30-35 (2015) - 2013
- [j1]Johannes Kirchmair, Mark J. Williamson, Avid M. Afzal, Jonathan D. Tyzack, Alison P. K. Choy, Andrew Howlett, Patrik Rydberg, Robert C. Glen:
FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes. J. Chem. Inf. Model. 53(11): 2896-2907 (2013)
Conference and Workshop Papers
- 2017
- [c1]Ulf Norinder, Fredrik Svensson, Avid M. Afzal, Andreas Bender:
Maximizing Gain in HTS Screening Using Conformal Prediction. COPA 2017: 103-117
Informal and Other Publications
- 2014
- [i1]Avid M. Afzal, Hamse Y. Mussa, Richard E. Turner, Andreas Bender, Robert C. Glen:
Target Fishing: A Single-Label or Multi-Label Problem? CoRR abs/1411.6285 (2014)
Coauthor Index
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