Target Profile Prediction and Practical Evaluation of a Biginelli-Type Dihydropyrimidine Compound Library

• Main Authors: Gisbert Schneider (Author), Felix Reisen (Author), Tim Geppert (Author), Michael Reutlinger (Author), Ladina Kasper (Author), Petra Schneider (Author), Katharina Stutz (Author), Sarah Haller (Author)
• Format: Book
• Published: MDPI AG, 2011-09-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

We present a self-organizing map (SOM) approach to predicting macromolecular targets for combinatorial compound libraries. The aim was to study the usefulness of the SOM in combination with a topological pharmacophore representation (CATS) for selecting biologically active compounds from a virtual c...