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Theoretical and Computational Chemistry

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Conformal prediction

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2 results in Keywords: Conformal prediction

Theoretical and Computational Chemistry

An Analysis of Proteochemometric and Conformal Prediction Machine Learning Protein-Ligand Binding Affinity Models

conor parks, Zied Gaieb, Rommie Amaro

Version 1 posted 29 January 2020

703

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Theoretical and Computational Chemistry

Rapid Traversal of Ultralarge Chemical Space using Machine Learning Guided Docking Screens

Andreas Luttens, Israel Cabeza de Vaca, Leonard Sparring, Ulf Norinder, Jens Carlsson

Version 1 posted 10 May 2023

2,017

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2

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