Fig. 3 | Communications Chemistry

Fig. 3

From: Tuning artificial intelligence on the de novo design of natural-product-inspired retinoid X receptor modulators

Fig. 3

Predicted activities of sample sets on RXRs: The valid and unique designs obtained from the AI model that was fine-tuned on three natural product templates (1, 2, 4) were predominantly not recognized by the target prediction software SPiDER as putative RXR modulators (12%, a. In contrast, the proportion of the designs predicted as RXR modulators by SPiDER increased considerably for the AI model that had been fine-tuned on six natural product templates (41%, b)

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