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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: XSMILES: interactive visualization for molecules, SMILES and XAI attribution scores

Fig. 5

Four types of hover interaction. A The respective token is highlighted when you mouse over an atom, and vice-versa. B A branch is highlighted on the molecule and on the string when you mouse over a parenthesis character. C A group defined by square brackets is highlighted when you mouse over its tokens or its atom. D It highlights the ring on the molecule and on the string when you mouse over the numbers that encode that ring. When highlighted, the tool modifies the molecule representation to express the signal direction of the attribution clearer by drawing a circle around the atom with the signal direction’s color and another with the highlight color

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