52168_Table_E1_AccessionNumDrugs.xlsx
Fabiola Estefanía Tristán-Flores, Diana Casique‐Aguirre, Raquel Pliego-Arrega, Juan Antonio Cervantes‐Montelongo, Ponciano García‐Gutiérrez, Gerardo Acosta‐García, Guillermo Antonio Silva-Martínez · Figshare · 2021
Data repositories such DrugBank, ZINC and PubChem were used to download the dataset from an updated list of reference medicine and The National Compendium of Health Supplies of Mexico (June 2020 update). The structures (sdf) dataset comprises 1,283 unique drugs, which the later were converted into Molecular Database format (mdb) using the Conformation Import MOE, feature available in MOE 2020.09 software (Molecular Operating Environment, Chemical Computing Group, Montreal, Canada)