Hu, Ye
Bajorath, Jürgen
2014-02-18
<p>A list of 221 drug-unique scaffolds that represented approved drugs but were not detected in currently available bioactive compounds is provided. For each scaffold, the corresponding approved drug(s) are listed with their IDs in DrugBank and names. The structures of scaffolds and drugs are provided in canonical SMILES representation.</p>
https://doi.org/10.5281/zenodo.8358
oai:zenodo.org:8358
Zenodo
https://doi.org/10.1016/j.ejmech.2014.02.040
https://doi.org/
info:eu-repo/semantics/openAccess
Creative Commons Zero v1.0 Universal
https://creativecommons.org/publicdomain/zero/1.0/legalcode
European Journal of Medicinal Chemistry, (2014-02-18)
Drug-unique scaffolds
info:eu-repo/semantics/other