The Interweaving of Cheminformatics and HTS
Anne Kümmel, Christian N. Parker · Methods in molecular biology · 2010
The aim of this chapter is to describe the stages of early drug discovery that can be assisted by techniques commonly used in the field of cheminformatics. In fact, cheminformatics tools can be applied all the way from the design of compound libraries and the analysis of HTS results, to the discovery of functional relationships between compounds and their targets.