Data Sets For Chemoinformatics And Computational Medicinal Chemistry
Ye Hu, Jürgen Bajorath · Zenodo (CERN European Organization for Nuclear Research) · 2014
Data sets provided herein are a part of a freely available database of annotated compound data sets and software tools developed in our laboratory for chemoinformatics and computational medicinal chemistry. The original release is described in the following article: Hu Y, Bajorath J: Freely available compound data sets and software tools for chemoinformatics and computational medicinal chemistry applications [v1; ref status: indexed, http://f1000r.es/Mu9krs] F1000Research 2012; 1:11 (doi: 10.12688/f1000research.1-11.v1). The updated version containing the data provided herein will be described in a forthcoming data note in F1000Research.