BIOFACQUIM_V2.sdf
dataset
posted on 2019-12-03, 23:51 authored by JOSÉ LUIS MEDINA-FRANCOJOSÉ LUIS MEDINA-FRANCO, Norberto Sánchez-Cruz, B. Angélica Pilón-JimenezThis file contains the chemical structures of 531 compounds in SDF format, along with the following information: identification number (ID), compound name, simplified molecular input line entry system (SMILES), reference (with the name of the journal, digital object identifier (DOI) number and publication year), kingdom (Plantae or Fungi), genus, species, geographical location of the collection of the natural product and the biological activity if any. Any commercial or free software capable of reading SDF files will open the data sets supplied.
