{% set atoms_features = [
(0, "atom_type"),
(1, "#bonds"),
(2, "formal_charge"),
(3, "chirality"),
(4, "#Hs"),
(5, "hybridization"),
(6, "aromaticity"),
(7, "atomic_mass")
] %}
{% set bonds_features = [
(0, "bond_type"),
(1, "conjugated"),
(2, "in_ring"),
(3, "stereo")
] %}
{% if explainer == "path_explain" %}
Attributions
{% endif %}
Explanations of class n°{{ classNb }}
Atoms contributions
|
{% for k in range(2) %}
{% for i in range(4*k, 4*(k+1)) %}
Feature {{ i }}: {{ atoms_features[i][1] }}
|
{% endfor %}
{% endfor %}
Bonds contributions
|
{% for k in range(1) %}
{% for i in range(4*k, 4*(k+1)) %}
Feature {{ i }}: {{ bonds_features[i][1] }}
|
{% endfor %}
{% endfor %}
colormap
{{ -bound }}
{{ bound }}
{% if explainer == "path_explain" %}
Interactions
Explain interactions between
{% set default_i = 0 %}
{% for name, contentlist in [("feature1", atoms_features)] %}
{% include "selectbox.html" %}
{% endfor %}
and
{% set default_i = 5 %}
{% for name, contentlist in [("feature2", atoms_features)] %}
{% include "selectbox.html" %}
{% endfor %}
{% endif %}