{% extends "base.html" %} {% block title %}One-step Retrosynthesis{% endblock %} {% block page_title %}One-step Retrosynthesis{% endblock %} {% block extrahead %}{% endblock %} {% block navbar_items %} One-step Retro {% endblock %} {% block sidebar_items %}{% endblock %} {% block javascript %} {% endblock %} {% block page_body %}

Begin by entering in the SMILES string or name of the target molecule, or choose from one of the proposal targets below.

Target compound: Draw
Quick settings:
Template prioritization:
Num. templates:
Max. cum. prob.:
Precursor scoring:
Min. plausibility:
{% csrf_token %}
{% if suggestions %} {% for suggestion in suggestions %} {% endfor %}
{{ suggestion.name }}
tree builder
{% endif %} {% if target %}
Target molecule: {{ target.smiles }}
{{ target.smiles }}

Results generated in {{ time }} seconds

{% if form.template_prioritization == 'Relevance' %}{% endif %} {% if form.filter_threshold %}{% endif %} {% for precursor in precursors %} {% if form.template_prioritization == 'Relevance' %}{% endif %} {% if form.filter_threshold %}{% endif %} {% endfor %}
Rank
Precursor(s)
Score # ExamplesMax template relevanceFast filter score
{{ precursor.rank }} {% for mol in precursor.mols %} {% if lit_only %} {{ mol.smiles }} ({{ mol.ppg }}) {% else %} {{ mol.smiles }} ({{ mol.ppg }}) {% endif %} {% if not forloop.last %} + {% endif %}{% endfor %} → ?
{{ precursor.smiles }}
{{ precursor.score|floatformat:3 }} {{ precursor.num_examples }}{{ precursor.template_score|floatformat:4 }}{{ precursor.plausibility|floatformat:3 }}
{% endif %} {% if footnote %}
{{ footnote }}
{% endif %} {% include "drawing_modal.html" %} {% endblock %}