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Using template set
%% tb.settings.templateSet %%
version %% tb.settings.templateSetVersion %%
Currently selected:
Smiles:
%% selected.smiles %%
Click to copy!
Price ($/g): %% selected.ppg %%
Source: %% selected.source %%
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.score, 3) %% # Examples %% num2str(res.num_examples) %% Template score %% num2str(res.template_score, 3) %% Plausibility %% num2str(res.plausibility, 3) %% Reaction cluster %% num2str(res.group_id+1) %%
Rank | #%% res.rank %% |
Score | %% num2str(res.score, 3) %% |
# Examples | %% num2str(res.num_examples) %% |
Template score | %% num2str(res.template_score, 3) %% |
Plausibility | %% num2str(res.plausibility, 3) %% |
Reaction cluster | %% num2str(res.group_id+1) %% |
Smiles:
%% selected.reactionSmiles %%
Click to copy!
Retroscore: %% selected.retroscore %%
Template score: %% selected.templateScore %%
Plausibility: %% selected.ffScore %%
Num. Examples: %% selected.numExamples %%
Supporting templates:
Could not check regio-selectivity for this reaction, possibly due to stereochemistry in the product.
Regio-selective Products
Score %% num2str(selected.selectivity[index], 3) %%