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Additional file 1 of A Nano-QSTR model to predict nano-cytotoxicity: an approach using human lung cells data

  • João Pedro De Sousa Meneses (Creator)
  • Michael González-Durruthy (Creator)
  • Eli Fernández-de Gortari (Creator)
  • Alla P. Toropova (Creator)
  • Andrey A. Toropov (Creator)
  • Ernesto Alfaro-Moreno (Creator)

Dataset

Description

Additional file 1. Table S1 Original dataset. Table S2 List and description of calculated nano-descriptors. Table S3 Dataset with calculated nano-descriptors. Table S4 Dataset for modelling after the filtering step. Table S5 Unseen subset after the filtering step. Table S6 Training and test data after nano-descriptors selection. Table S7 Dataset assuming data normalization by ENMs surface area. Table S8 Applicability domain of the proposed ML nano-QSTR model.
Date made available22 May 2023
Publisherfigshare
Date of data production23 May 2023

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