Kristian Birchall - researchr alias

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Viewing Publication 1 - 5 from 5

2022

Incorporating Target-Specific Pharmacophoric Information into Deep Generative Models for Fragment ElaborationThomas E. Hadfield, Fergus Imrie, Andy Merritt, Kristian Birchall, Charlotte M. Deane. jcisd, 62(10):2280-2292, 2022. [doi]

2009

Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual ScreeningKristian Birchall, Valerie J. Gillet, Peter Willett 0002, Pierre Ducrot, Claude Luttmann. jcisd, 49(6):1330-1346, 2009. [doi]

2008

Evolving Interpretable Structure-Activity Relationships. 1. Reduced Graph QueriesKristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett. jcisd, 48(8):1543-1557, 2008. [doi]

Evolving Interpretable Structure-Activity Relationship Models. 2. Using Multiobjective Optimization To Derive Multiple ModelsKristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett. jcisd, 48(8):1558-1570, 2008. [doi]

2006

Training Similarity Measures for Specific Activities: Application to Reduced GraphsKristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett. jcisd, 46(2):577-586, 2006. [doi]

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