The Molecular Entities in Linked Data Dataset

Published: 4 April 2020| Version 1 | DOI: 10.17632/fp4phyrbkz.1
Dominik Tomaszuk,
Łukasz Szeremeta


The Molecular Entities in Linked Data (MEiLD) dataset comprises data of distinct atoms, molecules, ions, ion pairs, radicals, radical ions, and others that can be identifiable as separately distinguishable chemical entities. The dataset is provided in a JSON-LD format and was generated by the SDFEater, a tool that allows parsing atoms, bonds, and other molecule data. MEiLD contains 349,960 of ‘small’ chemical entities.