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Biological and Medicinal Chemistry

(2)

Theoretical and Computational Chemistry

(3)

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Working Paper

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Over 3 years

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Avid M. Afzal

3 results in Authors: Avid M. Afzal

Biological and Medicinal Chemistry

Multitask Bioactivity Predictions Using Structural Chemical and Cell Morphology Information

Maria-Anna Trapotsi, Ian Barrett, Lewis Mervin, Avid M. Afzal, Noé Sturm, Ola Engkvist, Andreas Bender

Version 1 posted 29 June 2020

618

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Theoretical and Computational Chemistry

A Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Ligand-Target Predictions

Lewis Mervin, Avid M. Afzal, Ola Engkvist, Andreas Bender

Version 2 posted 07 May 2020

1,186

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Theoretical and Computational Chemistry

Probabilistic Random Forest Improves Bioactivity Predictions Close to the Classification Threshold by Taking into Account Experimental Uncertainty

Lewis Mervin, Maria-Anna Trapotsi, Avid M. Afzal, Ian Barrett, Andreas Bender, Ola Engkvist

Version 1 posted 07 May 2021

363

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