Introduction

With this WWW interface we provide restricted access to the PETRA program package.

If you want to become acquainted with the program or you need only a few data for one molecule (eg. the sigma charges calculated by the PEOE algorithm) you should use the section "Access via SMILES string". If you are not familiar with the technique of writing SMILES strings use the interactive Java molecule editor. After pressing the submit button you will get the data in a tabular format together with a depiction of the input molecule.

For detailed description of the available properties you may read the manual in either HTML or PDF format.

Start Service

• Single molecule via SMILES