State-of-the-art in ligand-based virtual screening

  • Ripphausen P
  • Nisius B
  • Bajorath J
  • 159


    Mendeley users who have this article in their library.
  • 93


    Citations of this article.


Virtual screening is a much discussed topic in chemoinformatics and medicinal chemistry, and widely applied in pharmaceutical research. Here, we provide an in-depth analysis of currently available ligand-based virtual screening applications. We formulate several scientific quality criteria for prospective ligand-based virtual screens and analyze, in detail, the information provided by currently available peer-reviewed publications. The results presented herein provide a detailed view of the current state-of-the-art in this field and point at several problematic issues but also opportunities for further advances. © 2011 Elsevier Ltd. All rights reserved.

Get free article suggestions today

Mendeley saves you time finding and organizing research

Sign up here
Already have an account ?Sign in

Find this document


  • Peter Ripphausen

  • Britta Nisius

  • Jürgen Bajorath

Cite this document

Choose a citation style from the tabs below

Save time finding and organizing research with Mendeley

Sign up for free