Analysis of the benefits of imputation models over traditional QSAR models for toxicity prediction

Analysis of the benefits of imputation models over traditional QSAR models for toxicity prediction

Abstract Recently, imputation techniques have been adapted to predict activity values among sparse bioactivity matrices, showing improvements in predictive performance over traditional QSAR models. These models are able to use experimental activity values for auxiliary assays when predicting the act...

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Bibliographic Details
Main Authors: Moritz Walter, Luke N. Allen, Antonio de la Vega de León, Samuel J. Webb, Valerie J. Gillet
Format: Article
Language:English
Published: BMC 2022-06-01
Series:Journal of Cheminformatics
Subjects:
QSAR
Imputation modeling
Multi-task modeling
Toxicity prediction
Model evaluation
Online Access:https://doi.org/10.1186/s13321-022-00611-w

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