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Using template set
%% tb.settings.templateSet %%
version %% tb.settings.templateSetVersion %%
with
%% tb.settings.attributeFilter.length %%
active attribute filters
Currently selected:
Smiles:
%% selected.smiles %%
Click to copy!
Price ($/g): %% selected.data.ppg %%
Source: %% selected.data.source %%
Loading...
Precursors
Click button below to expand this node and predict precursors for this target.
Add top
%% allowCluster ? 'clusters' : 'precursors' %% to the graph visualization
Rank | #%% res.rank %% |
Score | %% num2str(res.retroScore, 3) %% |
Synthetic complexity | %% num2str(res.scscore, 3) %% |
# Examples | %% num2str(res.numExamples) %% |
Template rank | %% num2str(res.templateRank) %% |
Template score | %% num2str(res.templateScore, 3, true) %% |
Plausibility | %% num2str(res.ffScore, 3) %% |
Reaction cluster | %% num2str(res.clusterId+1) %% |
Smiles:
%% selected.smiles %%
Click to copy!
Score | %% num2str(selected.data.retroScore, 3) %% |
---|---|
Template rank | %% num2str(selected.data.templateRank) %% |
Template score | %% num2str(selected.data.templateScore, 3, true) %% |
Plausibility | %% num2str(selected.data.ffScore, 3) %% |
# Examples | %% num2str(selected.data.numExamples) %% |
Supporting templates |
Could not check regio-selectivity for this reaction, possibly due to stereochemistry in the product.
Regio-selective Products
Score %% num2str(selected.data.selectivity[index], 3) %%
Index: | %% currentTreeProps.index %% |
---|---|
Depth: | %% currentTreeProps.depth %% |
# Reactions: | %% currentTreeProps.numReactions %% |
Avg. Plausibility: | %% currentTreeProps.avgPlausibility %% |
Min. Plausibility: | %% currentTreeProps.minPlausibility %% |
Avg. Template Score: | %% currentTreeProps.avgTempScore %% |
Min. Template Score: | %% currentTreeProps.minTempScore %% |