Instant JChem - Structure based predictions

tutorial · 11 years ago
Instant JChem

The major tool in Instant JChem that allows you to deal with chemo-physical properties and calculations is called Chemical Terms. The tutorial describes the Chemical Terms language and shows you how to add extra fields to your structure table, how to use the chemical terms in a query and generally how to use the dialog panel of the terms with the examples of calculating the rotatable bonds, the logP values and the Lipinski rule of five.