{% 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.
{% if suggestions %}
{{ suggestion.name }} tree builder |
Rank | Score | # Examples | {% if form.template_prioritization == 'Relevance' %}Max template relevance | {% endif %} {% if form.filter_threshold %}Fast filter score | {% endif %}|
---|---|---|---|---|---|
{{ 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.score|floatformat:3 }} | {{ precursor.num_examples }} | {% if form.template_prioritization == 'Relevance' %}{{ precursor.template_score|floatformat:4 }} | {% endif %} {% if form.filter_threshold %}{{ precursor.plausibility|floatformat:3 }} | {% endif %}