Nathan Brown

Publication Activity (10 Years)

Years Active: 2003-2023
Publications (10 Years): 15

Top Topics

Virtual Screening

Top Venues

J. Chem. Inf. Model.

Publications

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
A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening. J. Chem. Inf. Model. 63 (10) (2023)
Nathan Brown, Ashton Williamson, Tahj Anderson, Logan Lawrence
Efficient Transformer Knowledge Distillation: A Performance Review. CoRR (2023)
Nathan Brown, Ashton Williamson, Tahj Anderson, Logan Lawrence
Efficient Transformer Knowledge Distillation: A Performance Review. EMNLP (Industry Track) (2023)
Stephanie Bunt, Catherine Berdanier, Nathan Brown
Optimization Strategies of Architecture and Engineering Graduate Students: Responding to Data During Design. CAAD Futures (2023)
Laura Hinkle, Gregory S. Pavlak, Nathan Brown, Leland Curtis
Dynamic Subset Sensitivity Analysis For Design Exploration. ANNSIM (2022)
Tanvir Ahmed Khan, Nathan Brown, Akshitha Sriraman, Niranjan K. Soundararajan, Rakesh Kumar, Joseph Devietti, Sreenivas Subramoney, Gilles A. Pokam, Heiner Litz, Baris Kasikci
Twig: Profile-Guided BTB Prefetching for Data Center Applications. MICRO (2021)
Jack Scantlebury, Nathan Brown, Frank von Delft, Charlotte M. Deane
Data Set Augmentation Allows Deep Learning-Based Virtual Screening to Better Generalize to Unseen Target Classes and Highlight Important Binding Interactions. J. Chem. Inf. Model. 60 (8) (2020)
Nathan Brown, Peter Ertl, Richard A. Lewis, Torsten Luksch, Daniel Reker, Nadine Schneider
Artificial intelligence in chemistry and drug design. J. Comput. Aided Mol. Des. 34 (7) (2020)
Nathan Brown, Marco Fiscato, Marwin H. S. Segler, Alain C. Vaucher
GuacaMol: Benchmarking Models for de Novo Molecular Design. J. Chem. Inf. Model. 59 (3) (2019)
Thanh Vu, Anthony Nguyen, Nathan Brown, James Hughes
Identifying Patients with Pain in Emergency Departments using Conventional Machine Learning and Deep Learning. ALTA (2019)
Emily Baker, M. J. Jeger, John D. Mumford, Nathan Brown
Enhancing plant biosecurity with citizen science monitoring: comparing methodologies using reports of acute oak decline. J. Geogr. Syst. 21 (1) (2019)
Nathan Brown, Marco Fiscato, Marwin H. S. Segler, Alain C. Vaucher
GuacaMol: Benchmarking Models for De Novo Molecular Design. CoRR (2018)
Daniel Neil, Marwin H. S. Segler, Laura Guasch, Mohamed Ahmed, Dean Plumbley, Matthew Sellwood, Nathan Brown
Exploring Deep Recurrent Models with Reinforcement Learning for Molecule Design. ICLR (Workshop) (2018)
N. Yi Mok, Nathan Brown
Applications of Systematic Molecular Scaffold Enumeration to Enrich Structure-Activity Relationship Information. J. Chem. Inf. Model. 57 (1) (2017)
Joshua Meyers, Nathan Brown, Julian Blagg
Mapping the 3D structures of small molecule binding sites. J. Cheminformatics 8 (1) (2016)
Nicholas C. Firth, Butrus Atrash, Nathan Brown, Julian Blagg
MOARF, an Integrated Workflow for Multiobjective Optimization: Implementation, Synthesis, and Biological Evaluation. J. Chem. Inf. Model. 55 (6) (2015)
Nathan Brown
Helping Members of the Community Manage Their Digital Lives: Developing a Personal Digital Archiving Workshop. D Lib Mag. 21 (5/6) (2015)
Nathan Brown, M. Susan Ubbelohde, George Loisos, Santosh Philip, Ibone Santiago
EnergyPlus as a forensic tool: Thermal reconstruction of a crime scene using calibrated simulation. Simul. 90 (8) (2014)
N. Yi Mok, Ruth Brenk, Nathan Brown
Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening. J. Chem. Inf. Model. 54 (1) (2014)
Fabio Broccatelli, Nathan Brown
Best of Both Worlds: On the Complementarity of Ligand-Based and Structure-Based Virtual Screening. J. Chem. Inf. Model. 54 (6) (2014)
Guanhua Yan, Nathan Brown, Deguang Kong
Exploring Discriminatory Features for Automated Malware Classification. DIMVA (2013)
Sarah R. Langdon, Isaac M. Westwood, Rob L. M. van Montfort, Nathan Brown, Julian Blagg
Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitors. J. Chem. Inf. Model. 53 (5) (2013)
Nicholas C. Firth, Nathan Brown, Julian Blagg
Plane of Best Fit: A Novel Method to Characterize the Three-Dimensionality of Molecules. J. Chem. Inf. Model. 52 (10) (2012)
Sarah R. Langdon, Nathan Brown, Julian Blagg
Scaffold Diversity of Exemplified Medicinal Chemistry Space. J. Chem. Inf. Model. 51 (9) (2011)
Nathan Brown
Chemoinformatics - an introduction for computer scientists. ACM Comput. Surv. 41 (2) (2009)
Ansgar Schuffenhauer, Nathan Brown, Peter Ertl, Jeremy L. Jenkins, Paul Selzer, Jacques Hamon
Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space. J. Chem. Inf. Model. 47 (2) (2007)
Milan Ganguly, Nathan Brown, Ansgar Schuffenhauer, Peter Ertl, Valerie J. Gillet, Paulette A. Greenidge
Introducing the Consensus Modeling Concept in Genetic Algorithms: Application to Interpretable Discriminant Analysis. J. Chem. Inf. Model. 46 (5) (2006)
Nathan Brown, Ben McKay, Johann Gasteiger
A novel workflow for the inverse QSPR problem using multiobjective optimization. J. Comput. Aided Mol. Des. 20 (5) (2006)
Ansgar Schuffenhauer, Nathan Brown, Paul Selzer, Peter Ertl, Edgar Jacoby
Relationships between Molecular Complexity, Biological Activity, and Structural Diversity. J. Chem. Inf. Model. 46 (2) (2006)
Nathan Brown, Ben McKay, Johann Gasteiger
The de novo design of median molecules within a property range of interest. J. Comput. Aided Mol. Des. 18 (12) (2004)
Nathan Brown, Ben McKay, François Gilardoni, Johann Gasteiger
A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules. J. Chem. Inf. Model. 44 (3) (2004)
Nathan Brown, Peter Willett, David J. Wilton, Richard A. Lewis
Generation and Display of Activity-Weighted Chemical Hyperstructures. J. Chem. Inf. Comput. Sci. 43 (1) (2003)