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pro vyhledávání: '"Gerrard, Will"'
A community-powered search of machine learning strategy space to find NMR property prediction models
Autor:
Bratholm, Lars A., Gerrard, Will, Anderson, Brandon, Bai, Shaojie, Choi, Sunghwan, Dang, Lam, Hanchar, Pavel, Howard, Addison, Huard, Guillaume, Kim, Sanghoon, Kolter, Zico, Kondor, Risi, Kornbluth, Mordechai, Lee, Youhan, Lee, Youngsoo, Mailoa, Jonathan P., Nguyen, Thanh Tu, Popovic, Milos, Rakocevic, Goran, Reade, Walter, Song, Wonho, Stojanovic, Luka, Thiede, Erik H., Tijanic, Nebojsa, Torrubia, Andres, Willmott, Devin, Butts, Craig P., Glowacki, David R., participants, Kaggle
The rise of machine learning (ML) has created an explosion in the potential strategies for using data to make scientific predictions. For physical scientists wishing to apply ML strategies to a particular domain, it can be difficult to assess in adva
Externí odkaz:
http://arxiv.org/abs/2008.05994
Autor:
Gerrard, Will, Bratholm, Lars Andersen, Packer, Martin, Mulholland, Adrian J., Glowacki, David R., Butts, Craig P.
The IMPRESSION (Intelligent Machine PREdiction of Shift and Scalar Information Of Nuclei) machine learning system provides an efficient and accurate route to the prediction of NMR parameters from 3-dimensional chemical structures. Here we demonstrate
Externí odkaz:
http://arxiv.org/abs/1908.08501
Autor:
Gerrard, Will1 (AUTHOR), Yiu, Calvin1 (AUTHOR), Butts, Craig P.1 (AUTHOR) craig.butts@bristol.ac.uk
Publikováno v:
Magnetic Resonance in Chemistry. Nov2022, Vol. 60 Issue 11, p1087-1092. 6p.
Autor:
Bratholm, Lars A.1,2 (AUTHOR) lars.bratholm@bristol.ac.uk, Gerrard, Will1 (AUTHOR), Anderson, Brandon3,4,5 (AUTHOR), Bai, Shaojie6,7 (AUTHOR), Choi, Sunghwan8 (AUTHOR), Dang, Lam9 (AUTHOR), Hanchar, Pavel10 (AUTHOR), Howard, Addison11 (AUTHOR), Kim, Sanghoon12 (AUTHOR), Kolter, Zico6,7 (AUTHOR), Kondor, Risi3,4,13 (AUTHOR), Kornbluth, Mordechai14 (AUTHOR), Lee, Youhan15 (AUTHOR), Lee, Youngsoo16 (AUTHOR), Mailoa, Jonathan P.14 (AUTHOR), Nguyen, Thanh Tu9 (AUTHOR), Popovic, Milos17 (AUTHOR), Rakocevic, Goran17 (AUTHOR), Reade, Walter11 (AUTHOR), Song, Wonho18 (AUTHOR)
Publikováno v:
PLoS ONE. 7/20/2021, Vol. 16 Issue 7, p1-16. 16p.
Publikováno v:
Daily Mail. 12/11/2021, p112. 1p.
Publikováno v:
Daily Mail; 12/7/2021, p72, 1p
Publikováno v:
Daily Mail. 6/18/2018, p84. 1p.