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Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction.

M. Robinson, R. Glen, and A. Lee. J. Comput. Aided Mol. Des., 34 (7): 717-730 (2020)

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To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Olivier Alphand

Alpha N'Diaye

Alpha Diallo

Alpha Yaya Kamara

Xavier Lee Lee

Other publications of authors with the same name

Bayesian unsupervised learning reveals hidden structure in concentrated electrolytes.P. Jones, F. Coupette, A. Härtel, and A. Lee. CoRR, (2020)Dataset Bias in the Natural Sciences: A Case Study in Chemical Reaction Prediction and Synthesis Design.R. Griffiths, P. Schwaller, and A. Lee. CoRR, (2021)Matbench Discovery - An evaluation framework for machine learning crystal stability prediction.J. Riebesell, R. Goodall, A. Jain, P. Benner, K. Persson, and A. Lee. CoRR, (2023)Achieving Robustness to Aleatoric Uncertainty with Heteroscedastic Bayesian Optimisation.R. Griffiths, M. Garcia-Ortegon, A. Aldrick, and A. Lee. CoRR, (2019)GAUCHE: A Library for Gaussian Processes in Chemistry.R. Griffiths, L. Klarner, H. Moss, A. Ravuri, S. Truong, B. Rankovic, Y. Du, A. Jamasb, J. Schwartz, A. Tripp and 8 other author(s). CoRR, (2022)Perspective: new insights from loss function landscapes of neural networks.S. Chitturi, P. Verpoort, A. Lee, and D. Wales. Mach. Learn. Sci. Technol., 1 (2): 23002 (2020)Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction.M. Robinson, R. Glen, and A. Lee. J. Comput. Aided Mol. Des., 34 (7): 717-730 (2020)Impact of Chemist-In-The-Loop Molecular Representations on Machine Learning Outcomes.T. Wills, D. Polshakov, M. Robinson, and A. Lee. J. Chem. Inf. Model., 60 (10): 4449-4456 (2020)Pushing the Pareto front of band gap and permittivity: ML-guided search for dielectric materials.J. Riebesell, T. Surta, R. Goodall, M. Gaultois, and A. Lee. CoRR, (2024)Achieving robustness to aleatoric uncertainty with heteroscedastic Bayesian optimisation.R. Griffiths, A. Aldrick, M. Garcia-Ortegon, V. Lalchand, and A. Lee. Mach. Learn. Sci. Technol., 3 (1): 15004 (2022)

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Disambiguation of "Lee, Alpha A."

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Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction.

Please choose a person to relate this publication to

Olivier Alphand

Alpha N'Diaye

Alpha Diallo

Alpha Yaya Kamara

Xavier Lee Lee

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Lee, Alpha A."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction.

Please choose a person to relate this publication to

Olivier Alphand

Alpha N'Diaye

Alpha Diallo

Alpha Yaya Kamara

Xavier Lee Lee

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction.