Nathan Brown

According to our database, Nathan Brown authored at least 29 papers between 2003 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

BOTS-LM: Training Large Language Models for Setswana.

Nathan Brown, Vukosi Marivate

CoRR, 2024

2023

A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening.

Jack Scantlebury, Lucy Vost, Anna Carbery, Thomas E. Hadfield, Oliver M. Turnbull, Nathan Brown, Vijil Chenthamarakshan, Payel Das, Harold Grosjean, Frank von Delft, Charlotte M. Deane

J. Chem. Inf. Model., May, 2023

Efficient Transformer Knowledge Distillation: A Performance Review.

Nathan Brown, Ashton Williamson, Tahj Anderson, Logan Lawrence

Proceedings of the 2023 Conference on Empirical Methods in Natural Language Processing: EMNLP 2023, 2023

Optimization Strategies of Architecture and Engineering Graduate Students: Responding to Data During Design.

Stephanie Bunt, Catherine Berdanier, Nathan Brown

Proceedings of the Computer-Aided Architectural Design. INTERCONNECTIONS: Co-computing Beyond Boundaries, 2023

2021

Twig: Profile-Guided BTB Prefetching for Data Center Applications.

Tanvir Ahmed Khan, Nathan Brown, Akshitha Sriraman, Niranjan K. Soundararajan, Rakesh Kumar, Joseph Devietti, Sreenivas Subramoney, Gilles A. Pokam, Heiner Litz, Baris Kasikci

Proceedings of the MICRO '21: 54th Annual IEEE/ACM International Symposium on Microarchitecture, 2021

2020

Data Set Augmentation Allows Deep Learning-Based Virtual Screening to Better Generalize to Unseen Target Classes and Highlight Important Binding Interactions.

Jack Scantlebury, Nathan Brown, Frank von Delft, Charlotte M. Deane

J. Chem. Inf. Model., 2020

Artificial intelligence in chemistry and drug design.

Nathan Brown, Peter Ertl, Richard A. Lewis, Torsten Luksch, Daniel Reker, Nadine Schneider

J. Comput. Aided Mol. Des., 2020

2019

Enhancing plant biosecurity with citizen science monitoring: comparing methodologies using reports of acute oak decline.

Emily Baker, M. J. Jeger, John D. Mumford, Nathan Brown

J. Geogr. Syst., 2019

GuacaMol: Benchmarking Models for de Novo Molecular Design.

Nathan Brown, Marco Fiscato, Marwin H. S. Segler, Alain C. Vaucher

J. Chem. Inf. Model., 2019

2018

Exploring Deep Recurrent Models with Reinforcement Learning for Molecule Design.

Daniel Neil, Marwin H. S. Segler, Laura Guasch, Mohamed Ahmed, Dean Plumbley, Matthew Sellwood, Nathan Brown

Proceedings of the 6th International Conference on Learning Representations, 2018

2017

Applications of Systematic Molecular Scaffold Enumeration to Enrich Structure-Activity Relationship Information.

N. Yi Mok, Nathan Brown

J. Chem. Inf. Model., 2017

2016

Mapping the 3D structures of small molecule binding sites.

Joshua Meyers, Nathan Brown, Julian Blagg

J. Cheminformatics, 2016

2015

MOARF, an Integrated Workflow for Multiobjective Optimization: Implementation, Synthesis, and Biological Evaluation.

Nicholas C. Firth, Butrus Atrash, Nathan Brown, Julian Blagg

J. Chem. Inf. Model., 2015

Helping Members of the Community Manage Their Digital Lives: Developing a Personal Digital Archiving Workshop.

Nathan Brown

D Lib Mag., 2015

2014

EnergyPlus as a forensic tool: Thermal reconstruction of a crime scene using calibrated simulation.

Nathan Brown, M. Susan Ubbelohde, George Loisos, Santosh Philip, Ibone Santiago

Simul., 2014

Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening.

N. Yi Mok, Ruth Brenk, Nathan Brown

J. Chem. Inf. Model., 2014

Best of Both Worlds: On the Complementarity of Ligand-Based and Structure-Based Virtual Screening.

Fabio Broccatelli, Nathan Brown

J. Chem. Inf. Model., 2014

2013

Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitors.

Sarah R. Langdon, Isaac M. Westwood, Rob L. M. van Montfort, Nathan Brown, Julian Blagg

J. Chem. Inf. Model., 2013

Exploring Discriminatory Features for Automated Malware Classification.

Guanhua Yan, Nathan Brown, Deguang Kong

Proceedings of the Detection of Intrusions and Malware, and Vulnerability Assessment, 2013

2012

Plane of Best Fit: A Novel Method to Characterize the Three-Dimensionality of Molecules.

Nicholas C. Firth, Nathan Brown, Julian Blagg

J. Chem. Inf. Model., 2012

2011

Scaffold Diversity of Exemplified Medicinal Chemistry Space.

Sarah R. Langdon, Nathan Brown, Julian Blagg

J. Chem. Inf. Model., 2011

2009

Chemoinformatics - an introduction for computer scientists.

Nathan Brown

ACM Comput. Surv., 2009

2007

Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space.

Ansgar Schuffenhauer, Nathan Brown, Peter Ertl, Jeremy L. Jenkins, Paul Selzer, Jacques Hamon

J. Chem. Inf. Model., 2007

2006

Relationships between Molecular Complexity, Biological Activity, and Structural Diversity.

Ansgar Schuffenhauer, Nathan Brown, Paul Selzer, Peter Ertl, Edgar Jacoby

J. Chem. Inf. Model., 2006

Introducing the Consensus Modeling Concept in Genetic Algorithms: Application to Interpretable Discriminant Analysis.

Milan Ganguly, Nathan Brown, Ansgar Schuffenhauer, Peter Ertl, Valerie J. Gillet, Paulette A. Greenidge

J. Chem. Inf. Model., 2006

A novel workflow for the inverse QSPR problem using multiobjective optimization.

Nathan Brown, Ben McKay, Johann Gasteiger

J. Comput. Aided Mol. Des., 2006

2004

A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules.

Nathan Brown, Ben McKay, François Gilardoni, Johann Gasteiger

J. Chem. Inf. Model., 2004

The de novo design of median molecules within a property range of interest.

Nathan Brown, Ben McKay, Johann Gasteiger

J. Comput. Aided Mol. Des., 2004

2003

Generation and Display of Activity-Weighted Chemical Hyperstructures.

Nathan Brown, Peter Willett, David J. Wilton, Richard A. Lewis

J. Chem. Inf. Comput. Sci., 2003