Training Similarity Measures for Specific Activities: Application to Reduced Graphs. - Kristian Birchall; Valerie J. Gillet; Gavin Harper; Stephen D. Pickett (J. Chem. Inf. Model., 2006)

Evolving Interpretable Structure-Activity Relationships. 1. Reduced Graph Queries. - Kristian Birchall; Valerie J. Gillet; Gavin Harper; Stephen D. Pickett (J. Chem. Inf. Model., 2008)

Evolving Interpretable Structure-Activity Relationship Models. 2. Using Multiobjective Optimization To Derive Multiple Models. - Kristian Birchall; Valerie J. Gillet; Gavin Harper; Stephen D. Pickett (J. Chem. Inf. Model., 2008)

Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening. - Kristian Birchall; Valerie J. Gillet; Peter Willett 002; Pierre Ducrot; Claude Luttmann (J. Chem. Inf. Model., 2009)

Incorporating Target-Specific Pharmacophoric Information into Deep Generative Models for Fragment Elaboration. - Thomas E. Hadfield; Fergus Imrie; Andy Merritt; Kristian Birchall; Charlotte M. Deane (J. Chem. Inf. Model., 2022)

The future of machine learning for small-molecule drug discovery will be driven by data. - Guy Durant; Fergus Boyles; Kristian Birchall; Charlotte M. Deane (Nat. Comput. Sci., 2024)