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Journal Articles
- 2024
[j6]Guy Durant, Fergus Boyles, Kristian Birchall, Charlotte M. Deane
:
The future of machine learning for small-molecule drug discovery will be driven by data. Nat. Comput. Sci. 4(10): 735-743 (2024)- 2022
- [j5]Thomas E. Hadfield, Fergus Imrie, Andy Merritt, Kristian Birchall, Charlotte M. Deane:
Incorporating Target-Specific Pharmacophoric Information into Deep Generative Models for Fragment Elaboration. J. Chem. Inf. Model. 62(10): 2280-2292 (2022) - 2009
- [j4]Kristian Birchall, Valerie J. Gillet, Peter Willett, Pierre Ducrot, Claude Luttmann:
Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening. J. Chem. Inf. Model. 49(6): 1330-1346 (2009) - 2008
- [j3]Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett:
Evolving Interpretable Structure-Activity Relationships. 1. Reduced Graph Queries. J. Chem. Inf. Model. 48(8): 1543-1557 (2008) - [j2]Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett:
Evolving Interpretable Structure-Activity Relationship Models. 2. Using Multiobjective Optimization To Derive Multiple Models. J. Chem. Inf. Model. 48(8): 1558-1570 (2008) - 2006
- [j1]Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett:
Training Similarity Measures for Specific Activities: Application to Reduced Graphs. J. Chem. Inf. Model. 46(2): 577-586 (2006)
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