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Fig. 5 | Genes and Environment

Fig. 5

From: The importance of expert review to clarify ambiguous situations for (Q)SAR predictions under ICH M7

Fig. 5

Example compounds displayed for predictions of compound 4 in Nexus; a highlighted misclassified feature and associated reference compounds in Derek Nexus; b most similar training set examples in Sarah Nexus highlighting functional groups causative of activity yet not present in the query. Example compounds in red boxes and green boxes are positive and negative in the Ames test respectively. Functional groups highlighted in yellow boxes are alerting features absent from the query compound

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