Data sets for chemoinformatics and computational medicinal chemistry

<p>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:<br> <br> 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] <em>F1000Research </em>2012; 1:11 (doi: 10.12688/f1000research.1-11.v1).<br> <br> The updated version containing the data provided herein will be described in a forthcoming data note in <em>F1000Research</em>.