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Results of search for 'au:"McCloskey, Kevin"'
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Authors
Berndl, Marc
Brenner, Michael P
Colwell, Lucy J
Kearnes, Steven
McCloskey, Kevin
Monti, Federico
Pande, Vijay
Riley, Patrick
Taly, Ankur
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Topics
Algorithms
Computer Graphics
Computer-Aided Design
Drug Design
Ligands
Machine Learning
Models, Chemical
Molecular Structure
Neural Networks, Computer
Pharmaceutical Preparations
Protein Binding
Proteins
chemistry
physiology
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1.
Molecular graph convolutions: moving beyond fingerprints.
[electronic resource]
by
Kearnes, Steven
McCloskey, Kevin
Berndl, Marc
Pande, Vijay
Riley, Patrick
Producer:
20170614
In:
Journal of computer-aided molecular design
vol. 30
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Available from publisher's website
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2.
Using attribution to decode binding mechanism in neural network models for chemistry.
[electronic resource]
by
McCloskey, Kevin
Taly, Ankur
Monti, Federico
Brenner, Michael P
Colwell, Lucy J
Producer:
20200324
In:
Proceedings of the National Academy of Sciences of the United States of America
vol. 116
Online resources:
Available from publisher's website
Availability:
No items available.
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