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Gerrard, Will
22  Ergebnisse:
Personensuche X
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1

Prediction of 15N chemical shifts by machine learning:

Gerrard, Will ; Yiu, Calvin ; Butts, Craig P.
Magnetic Resonance in Chemistry.  60 (2021)  11 - p. 1087-1092 , 2021
Link: https://doi.org/10.1002/..
 
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2

A community-powered search of machine learning strategy spa..:

Bratholm, Lars A. ; Gerrard, Will ; Anderson, Brandon...
PLOS ONE.  16 (2021)  7 - p. e0253612 , 2021
Link: https://doi.org/10.1371/..
 
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3

IMPRESSION – prediction of NMR parameters for 3-dimensional..:

Gerrard, Will ; Bratholm, Lars A. ; Packer, Martin J....
Chemical Science.  11 (2020)  2 - p. 508-515 , 2020
Link: https://doi.org/10.1039/..
 
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4

Prediction of 15N chemical shifts by machine learning:

Gerrard, Will ; Yiu, Calvin ; Butts, Craig P
Gerrard , W , Yiu , C & Butts , C P 2021 , ' Prediction of 15N chemical shifts by machine learning ' , Magnetic Resonance in Chemistry , vol. (2021) , no. SPECIAL ISSUE RESEARCH ARTICLE . https://doi.org/10.1002/mrc.5208.  , 2021
Link: https://hdl.handle.net/1..
 
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A community-powered search of machine learning strategy spa..:

Bratholm, L. A ; Gerrard, Will ; Anderson, Brandon...
Bratholm , L A , Gerrard , W , Anderson , B , Bai , S , Choi , S , Dang , L , Hanchar , P , Howard , A , Kim , S , Kolter , Z , Kondor , R , Kornbluth , M , Lee , Y , Lee , Y , Mailoa , J P , Nguyen , T T , Popovic , M , Rakocevic , G , Reade , W , Song , W , Stojanovic , L , Thiede , E H , Tijanic , N , Torrubia , A , Willmott , D , Butts , C P & Glowacki , D R 2021 , ' A community-powered search of machine learning strategy space to find NMR property prediction models ' , PLoS ONE , vol. 16 , no. 7 , e0253612 . https://doi.org/10.1371/journal.pone.0253612.  , 2021
Link: https://hdl.handle.net/1..
 
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6

IMPRESSION – prediction of NMR parameters for 3-dimensional..:

Gerrard, Will ; Bratholm, Lars A ; Packer, Martin J...
Gerrard , W , Bratholm , L A , Packer , M J , Mulholland , A J , Glowacki , D R & Butts , C P 2020 , ' IMPRESSION – prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracy ' , Chemical Science , vol. 11 , no. 2 , pp. 508-515 . https://doi.org/10.1039/C9SC03854J.  , 2020
Link: https://hdl.handle.net/1..
 
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7

A community-powered search of machine learning strategy spa..:

Bratholm, Lars A ; Gerrard, Will ; Anderson, Brandon...
http://arxiv.org/abs/2008.05994.  , 2020
Link: http://arxiv.org/abs/200..
 
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8

IMPRESSION -- Prediction of NMR Parameters for 3-dimensiona..:

Gerrard, Will ; Bratholm, Lars Andersen ; Packer, Martin...
http://arxiv.org/abs/1908.08501.  , 2019
Link: http://arxiv.org/abs/190..
 
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9

IMPRESSION – prediction of NMR parameters for 3-dimensional..:

Gerrard, Will ; Bratholm, Lars A ; Packer, Martin J...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7067266/.  , 2019
Link: http://www.ncbi.nlm.nih...
 
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10

A community-powered search of machine learning strategy spa..:

Lars A Bratholm ; Will Gerrard ; Brandon Anderson...
https://doi.org/10.1371/journal.pone.0253612.  , 2021
Link: https://doi.org/10.1371/..
 
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11

Fig 2 -:

Lars A. Bratholm (6599750) ; Will Gerrard (11160672) ; Brandon Anderson (11160675)...
https://figshare.com/articles/figure/Fig_2_-/15024570.  , 2021
Link: https://doi.org/10.1371/..
 
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12

Fig 4 -:

Lars A. Bratholm (6599750) ; Will Gerrard (11160672) ; Brandon Anderson (11160675)...
https://figshare.com/articles/figure/Fig_4_-/15024576.  , 2021
Link: https://doi.org/10.1371/..
 
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13

Summary descriptions for the six models in the final ME:

Lars A. Bratholm (6599750) ; Will Gerrard (11160672) ; Brandon Anderson (11160675)...
https://figshare.com/articles/dataset/Summary_descriptions_for_the_six_models_in_the_final_ME_/15024579.  , 2021
Link: https://doi.org/10.1371/..
 
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14

Dataset generation and contents, additional results analysi..:

Lars A. Bratholm (6599750) ; Will Gerrard (11160672) ; Brandon Anderson (11160675)...
https://figshare.com/articles/journal_contribution/Dataset_generation_and_contents_additional_results_analysis_model_architectures_directions_to_code_and_competition_description_/15024564.  , 2021
Link: https://doi.org/10.1371/..
 
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15

Fig 1 -:

Lars A. Bratholm (6599750) ; Will Gerrard (11160672) ; Brandon Anderson (11160675)...
https://figshare.com/articles/figure/Fig_1_-/15024567.  , 2021
Link: https://doi.org/10.1371/..
 
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