Fig. S2. Predicted vs observed values for Eq. 5 (a). line represents the line of unity. Williams Plot of Model 4 (b). Vertical line stands for the critical hat value, horizontal dashed lines are response outlier limits. Williams plot for the validation set. marks belong to the training set and orange Fig. S3. marks belong to the external set of compounds. (a)(b) Fig. S4. Graphical representation of Eq. 6 for prediction of toxicity of (a) C. vulgaris Predicted vs. experimental toxicity values, (b) Williams plot for Eq. 6. Yellow belong to training set and blue marks belong to prediction set of compounds. (a)(b) Fig. S5. Graphical representation of Eq. 7 for the prediction of toxicity of (a) C. vulgaris Predicted vs. experimental toxicity values, (b) Williams plot for Eq. 7. marks belong to training set and orange marks belong to prediction set of compounds.
Fig. S2. Predicted vs observed values for Eq. 5 (a). line represents the line of unity. Williams Plot of Model 4 (b). Vertical line stands for the critical hat value, horizontal dashed lines are response outlier limits. Fig. S3. Williams plot for the validation set. marks belong to the training set and orange marks belong to the external set of compounds. (a)(b) Fig. S4. Graphical representation of Eq. 6 for prediction of toxicity of C. vulgaris (a) Predicted vs. experimental toxicity values, (b) Williams plot for Eq. 6. Yellow belong to training set and blue marks belong to prediction set of compounds. (a)(b) Fig. S5. Graphical representation of Eq. 7 for the prediction of toxicity of C. vulgaris (a) Predicted vs. experimental toxicity values, (b) Williams plot for Eq. 7. marks belong to training set and orange marks belong to prediction set of compounds.