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Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty

Published Online: 2021-08-19

Published Print: 2021-12

Authors

Mervin, Lewis H. http://orcid.org/0000-0002-7271-0824
Trapotsi, Maria-Anna

Afzal, Avid M.

Barrett, Ian P.

Bender, Andreas

Engkvist, Ola
Funding

Funding for this research was provided by:

Biotechnology and Biological Sciences Research Council (BB/M011194/1)

AstraZeneca (BB/M011194/1)
License Information

Text and Data Mining valid from 2021-08-19

Version of Record valid from 2021-08-19
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Article History

Received: 7 May 2021

Accepted: 30 July 2021

First Online: 19 August 2021

Declarations

:

: The authors declare that they have no competing interests.

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