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March 5, 2021 8:54 IJAIT S0218213021500081 page 1 International ...
www.tcm.phy.cam.ac.uk/~tmw38/Whitehead21.pdf2 Oct 2021: deep learning approaches,24 methods that mitigate against training time, as well. ... Ba, Adam: A method for stochastic optimization, arXiv e-prints,. art. arXiv:1412.6980 (2014).24. -
Template for Electronic Submission to ACS Journals
www.tcm.phy.cam.ac.uk/~tmw38/IrwinLevellWhiteheadSegallConduit20.pdf2 Oct 2021: QSAR methods 20 including decision trees and random forests 21–23, radial basis functions 24,. ... B. 24. Figure 9. Comparison of the results on the independent test set for best of four QSAR methods. -
Deep imputation on large‐scale drug discovery data
www.tcm.phy.cam.ac.uk/~tmw38/Irwin21.pdf2 Oct 2021: L E T T E R. Deep imputation on large-scale drug discovery data. Benedict W. J. Irwin1,2 | Thomas M. Whitehead3 | Scott Rowland4 |. Samar Y. Mahmoud1 | Gareth J. Conduit2,3 | Matthew D. Segall1. 1Optibrium Limited, CambridgeInnovation Park, Cambridge -
Richard Needs: Publications
www.tcm.phy.cam.ac.uk/~rn11/publications.html30 Mar 2021: Richard Needs: Publications. Coexistence of plastic and partially diffusive phases in a helium-methane compound. Hao Gao, Cong Liu, Andreas Hermann, Richard J Needs, Chris J Pickard, Hui-Tian Wang, Dingyu Xing, and Jian Sun, Natl. Sci. Rev. 7, 1540 -
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www.tcm.phy.cam.ac.uk/~gjc29/talks/TCMCurrentResearchTalk2021.pdf10 Jan 2021: Slide 21. Slide 22. Slide 23. Slide 24. Slide 25. Slide 26. -
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www.tcm.phy.cam.ac.uk/~gjc29/talks/TCMCurrentResearch_2Talk2021.pdf14 Jun 2021: Slide 21. Slide 22. Slide 23. Slide 24. Slide 25. Slide 26. -
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www.tcm.phy.cam.ac.uk/~gjc29/talks/SurrogateModelsTalk2017.pdf3 Sep 2021: Slide 22. Slide 23. Slide 24. Slide 25. Slide 26. Slide 27. -
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www.tcm.phy.cam.ac.uk/~gjc29/talks/ODSCTalk2018.pdf7 Sep 2021: Slide 24. Slide 25. Slide 26. Slide 27. Slide 28. -
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www.tcm.phy.cam.ac.uk/~gjc29/talks/NUSTalk2017.pdf5 Sep 2021: Slide 19. Slide 20. Slide 21. Slide 22. Slide 23. Slide 24. -
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www.tcm.phy.cam.ac.uk/~gjc29/talks/MCR_SCR_Talk2021.pdf9 Feb 2021: Slide 20. Slide 21. Slide 22. Slide 23. Slide 24. Slide 25.
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