Description Usage Arguments Details Examples
This function retrieves a dataframe of all compounds from ChEMBL database containing the substructure represented by the given Canonical SMILES and their chemical properties.
1 | get.cmp.substruct(mol)
|
mol |
: String representing smiles of the moelcule |
get.cmp.substruct
1 2 | #get compounds by substructure
get.cmp.subsruct("CN(CCCN)c1cccc2ccccc12")
|
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.