John Bradshaw - researchr alias

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Viewing Publication 1 - 19 from 19

2023

Prefix-Tree Decoding for Predicting Mass Spectra from MoleculesSamuel Goldman, John Bradshaw, Jiayi Xin, Connor W. Coley. nips 2023: [doi]

2022

Local Latent Space Bayesian Optimization over Structured InputsNatalie Maus, Haydn Jones, Juston Moore, Matt J. Kusner, John Bradshaw, Jacob R. Gardner. nips 2022: [doi]

2020

Barking up the right tree: an approach to search over molecule synthesis DAGsJohn Bradshaw, Brooks Paige, Matt J. Kusner, Marwin H. S. Segler, José Miguel Hernández-Lobato. nips 2020: [doi]

2019

2011

Has the Picture Archiving and Communication System (PACS) Become a Commodity?James Chen, John Bradshaw, Paul G. Nagy. jdi, 24(1):6-10, 2011. [doi]

2009

A Machine Learning Approach to Weighting Schemes in the Data Fusion of Similarity CoefficientsJenny Chen, John Holliday, John Bradshaw. jcisd, 49(2):185-194, 2009. [doi]

2003

Similarity Searching Using Reduced GraphsValerie J. Gillet, Peter Willett 0002, John Bradshaw. jcisd, 43(2):338-345, 2003. [doi]

2001

Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel DiscriminationGavin Harper, John Bradshaw, John C. Gittins, Darren V. S. Green, Andrew R. Leach. jcisd, 41(5):1295-1300, 2001. [doi]

1999

1998

Similarity and Dissimilarity Methods for Processing Chemical Structure DatabasesValerie J. Gillet, David J. Wild, Peter Willett 0002, John Bradshaw. cj, 41(8):547-558, 1998.

Identification of Biological Activity Profiles Using Substructural Analysis and Genetic AlgorithmsValerie J. Gillet, Peter Willett 0002, John Bradshaw. jcisd, 38(2):165-179, 1998. [doi]

1997

The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial LibrariesValerie J. Gillet, Peter Willett 0002, John Bradshaw. jcisd, 37(4):731-740, 1997. [doi]

1995

The Application of Neural Networks in Conformational Analysis, 1. Prediction of Minimum and Maximum Interatomic DistancesShaun N. Jordan, Andrew R. Leach, John Bradshaw. jcisd, 35(3):640-650, 1995.

1993

Comparison of conformations of small molecule structures from the Protein Data Bank with those generated by Concord, Cobra, ChemDBS-3D, and Converter and those extracted from the Cambridge Structural DatabaseEleanor M. Ricketts, John Bradshaw, Mike Hann, Fiona Hayes, Neil Tanna, David M. Ricketts. jcisd, 33(6):905-925, 1993. [doi]

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