Mcule.com's applications available under the 'Applications' tab are simple and powerful tools to generate or prioritize ideas. They are primarily designed to enhance the lead optimization process by solving various problems and helping to make Go/No-Go decisions.

Beside help in phys-chem profiling and avoiding toxicity, special applications called 1-Click Applications are designed to make very difficult molecule modeling tasks accessible by chemists and biologists in their everyday work.

1-Click Docking can help prioritizing your ideas if the structure of the target protein is known. Estimation of binding orientation and binding affinity makes it possible to check the formation of critical interactions and to rank different structures from sketch.

1-Click Scaffold Hop uses the powerful scaffold hopping tool FTrees Visual Similarities of BioSolveIt to help you generate new ideas or to get purchasable compounds that can show the same activity. FTrees are running on a specially selected diverse set of 4M+ purchasable compounds available at mcule.com.

Mcule applications can be accessed under the 'Applications' tab.

The following applications are currently available:

1-Click Docking

1-Click Scaffold Hop

Property calculator

Toxicity checker

Idea validator