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Table 2 Acute toxicity data for Daphnia similis, together with the predicted values, chemical similarity with the training set and their predicted solubility

From: Towards a reliable prediction of the aquatic toxicity of dyes

Dye NCSU code Result EC50 (mg L−1) Confidence interval ACO-SVM EC50 (mg L−1) Similarity Intrinsic solubility (mg L−1)
5 NCSU-MWDL-[AQ]-[R]-X-27237-115 Positive 0.94 0.63–0.99 14.07 0.427 10
9 NCSU-MWDL-[Ir]-[R]-X-27237-061 Positive 1.85 1.28–1.98 3.09 0.420 1
21 NCSU-MWDL-[ME]-[W]-X-25380-49 Negative 26.44 0.428 20
25 NCSU-MWDL-[Ir]-[Y]-X-25380-174 Negative 0.17 0.373 1
41 NCSU-MWDL-[AZ]-[O]-X-25377-031 Negative 30.60 0.399 440
42 NCSU-MWDL-[AQ]-[R]-X-25377-013(2) Negative 5.82 0.447 1
70 NCSU-MWDL-[AZ]-[Y]-X-5158-83-C Positive 2.95 1.79–3.99 2.92 0.333 10
72 NCSU-MWDL-[Xa]-[R]-X-5417-15 Positive 0.40 0.40–0.41 2.82 0.471 30
83 NCSU-MWDL-[AZ]-[O]-X-6012-90-F Positive 1.04 0.74–1.41 2.48 0.364 1
117 NCSU-MWDL-[AZ]-[Y]-X-5432-22-D Positive 0.86 0.59–1.26 1.04 0.466 140
118 NCSU-MWDL-[AZ]-[Y]-X-5432-33-C Positive 0.73 0.40–1.33 0.40 0.447 1
136 NCSU-MWDL-[AZ]-[R]-X-5380-112-A Positive 0.35 0.33–0.36 2.02 0.404 1
145 NCSU-MWDL-[AQ]-[R]-X-5210-71 Positive 0.57 0.33–0.94 0.77 0.547 1
160 NCSU-MWDL-[X]-[B]-X-11769-62-A Positive 0.79 0.55–0.81 1.34 0.456 1
183 NCSU-MWDL-[AQ]-[B]-X-17994-277-1 Negative 2.68 0.435 1