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Table 1 Summary of the predictive tools

From: Comparison of seven in silico tools for evaluating of daphnia and fish acute toxicity: case study on Chinese Priority Controlled Chemicals and new chemicals

Parameters ECOSAR T.E.S.T. Danish Q.D. VEGA KATE Read Across Trent Analysis
Version V2.0 V4.2.1 Not available V1.1.5 2020 V1.0 QSARToolbox V4.4 QSARToolbox V4.4
AD definition KOW range Structural similarity Not available Five AD index KOW range Kow range and functional groups similarity Kow range and functional groups similarity
AD judge Manually Automatic Automatic Automatic Automatic Automatic Automatic
Algorithm QSAR, Linear regression QSAR, Hierarchical clustering, Single model, Group contribution, FDA, Nearest neighbor QSAR, Leadscope: partial least squares, partial logistic regression; SciQSAR: regression on principal components and partial least squares regression, Seven models for fish, covering QSAR and Read Across; two QSAR models for Daphnia magna, QSAR, Linear regression Chemical Category Chemical Category
Daphnia Daphnia magna, Daphnia pulex Daphnia magna Daphnia magna Daphnia magna Daphnia magna Daphnia magna Daphnia magna
Training sets size of daphnia 1000 353 626 Not available 562 > 1 > 1
Fish species Lepomis macrochirus, Cyprinus carpio, Pimephales promelas, Poecilia reticulate, Oncorhynchus mykiss, Oryzias latipes, and Brachydanio rerio Pimephales promelas Pimephales promelas Pimephales promelas, Oryzias latipes, Pimephales promelas Actinopterygii Actinopterygii
Training sets size of fish 1000 823 565 Not available 535 > 1 > 1