... | @@ -320,19 +320,3 @@ Please beware that, for simplicity, here I have omitted processes that are relev |
... | @@ -320,19 +320,3 @@ Please beware that, for simplicity, here I have omitted processes that are relev |
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* Filling up the table of targets to show.
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* Filling up the table of targets to show.
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### New data mapping |
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### New data mapping |
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## Data access scripts
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The CC resource provides a very simple API to query the data within the resource. In brief, the API facilitates the following:
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* Given one or more `inchikeys`:
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* It lists the corresponding `datasets`.
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* It returns the InChI structure(s).
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* If a `dataset` is specified, it returns the signatures (`sign*`) or vectorial data (`neig*`, `clus*`, etc.) of choice.
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* Given one or more `datasets`:
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* It lists the corresponding `inchikeys`.
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* It returns the signatures (`sign*`) or vectorial data (`neig*`, `clus*`, etc.) of choice.
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* It deletes the dataset from the resource (might be convenient when we are testing datasets).
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* Given one or more `levels` or `coordinates`:
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* It lists the corresponding `datasets`.
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* It indicates the exemplar `dataset(s)`. |
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