52168_Table_E1_AccessionNumDrugs.xlsx (27.83 kB)
Table_E1_DrugsAccessionNumber.xlsx
Version 2 2021-04-22, 17:28
Version 1 2021-04-22, 17:07
dataset
posted on 2021-04-22, 17:28 authored by Fabiola E. Tristán-Flores, Diana Casique-Aguirre, Raquel Pliego-Arrega, Juan A. Cervantes-Montelongo, Ponciano García-Gutierrez, Gerardo Acosta-García, Guillermo A. Silva-MartinezGuillermo A. Silva-MartinezData 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)
