Kristian Birchall

According to our database, Kristian Birchall authored at least 7 papers between 2006 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Robustly interrogating machine learning-based scoring functions: what are they learning?

Guy Durant, Fergus Boyles, Kristian Birchall, Brian D. Marsden, Charlotte M. Deane

Bioinform., 2025

2024

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., October, 2024

2022

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

2009

Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening.

Kristian Birchall, Valerie J. Gillet, Peter Willett, Pierre Ducrot, Claude Luttmann

J. Chem. Inf. Model., 2009

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

Evolving Interpretable Structure-Activity Relationships. 1. Reduced Graph Queries.

Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett

J. Chem. Inf. Model., 2008

2006

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