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Drug Discovery Today
|
July 19, 2006
Methods for mining HTS data
Gavin Harper, Stephen D Pickett
Journal of Chemical Information and Modeling
|
May 1, 2025
Exploring BERT for Reaction Yield Prediction: Evaluating the Impact of Tokenization, Molecular Representation, and Pretraining Data Augmentation
Adrian Krzyzanowski, Stephen D Pickett, Peter Pogány
Organic & Biomolecular Chemistry
|
June 9, 2021
Structural variation of protein-ligand complexes of the first bromodomain of BRD4
Ellen E Guest, Stephen D Pickett, Jonathan D Hirst
Journal of Chemical Information and Modeling
|
December 12, 2018
De Novo Molecule Design by Translating from Reduced Graphs to SMILES
Peter Pogány, Navot Arad, Sam Genway, et al.
Journal of Chemical Information and Modeling
|
July 22, 2008
Evolving interpretable structure-activity relationship models. 2. Using multiobjective optimization to derive multiple models
Kristian Birchall, Valerie J Gillet, Gavin Harper, et al.
Journal of Chemical Information and Modeling
|
March 28, 2006
Training similarity measures for specific activities: application to reduced graphs
Kristian Birchall, Valerie J Gillet, Gavin Harper, et al.
Journal of Cheminformatics
|
April 24, 2025
Visualising lead optimisation series using reduced graphs
Jessica Stacey, Baptiste Canault, Stephen D Pickett, et al.
Journal of Chemical Information and Modeling
|
July 18, 2008
Evolving interpretable structure-activity relationships. 1. Reduced graph queries
Kristian Birchall, Valerie J Gillet, Gavin Harper, et al.
Journal of Chemical Information and Modeling
|
July 14, 2020
Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries
Silvia Amabilino, Peter Pogány, Stephen D Pickett, et al.
Journal of Chemical Information and Modeling
|
February 26, 2026
Query Matters: How Selection Strategies Influence Active Learning in Drug Discovery
Huw J Williams, Stephen D Pickett, Andrew Baxter, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 31) with videos related to
Sort By:
Page
of 4
Drug Discovery Today
|
July 19, 2006
Methods for mining HTS data
Gavin Harper, Stephen D Pickett
Journal of Chemical Information and Modeling
|
May 1, 2025
Exploring BERT for Reaction Yield Prediction: Evaluating the Impact of Tokenization, Molecular Representation, and Pretraining Data Augmentation
Adrian Krzyzanowski, Stephen D Pickett, Peter Pogány
Organic & Biomolecular Chemistry
|
June 9, 2021
Structural variation of protein-ligand complexes of the first bromodomain of BRD4
Ellen E Guest, Stephen D Pickett, Jonathan D Hirst
Journal of Chemical Information and Modeling
|
December 12, 2018
De Novo Molecule Design by Translating from Reduced Graphs to SMILES
Peter Pogány, Navot Arad, Sam Genway, et al.
Journal of Chemical Information and Modeling
|
July 22, 2008
Evolving interpretable structure-activity relationship models. 2. Using multiobjective optimization to derive multiple models
Kristian Birchall, Valerie J Gillet, Gavin Harper, et al.
Journal of Chemical Information and Modeling
|
March 28, 2006
Training similarity measures for specific activities: application to reduced graphs
Kristian Birchall, Valerie J Gillet, Gavin Harper, et al.
Journal of Cheminformatics
|
April 24, 2025
Visualising lead optimisation series using reduced graphs
Jessica Stacey, Baptiste Canault, Stephen D Pickett, et al.
Journal of Chemical Information and Modeling
|
July 18, 2008
Evolving interpretable structure-activity relationships. 1. Reduced graph queries
Kristian Birchall, Valerie J Gillet, Gavin Harper, et al.
Journal of Chemical Information and Modeling
|
July 14, 2020
Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries
Silvia Amabilino, Peter Pogány, Stephen D Pickett, et al.
Journal of Chemical Information and Modeling
|
February 26, 2026
Query Matters: How Selection Strategies Influence Active Learning in Drug Discovery
Huw J Williams, Stephen D Pickett, Andrew Baxter, et al.
Page
of 4