Instant JChem working on Amazon EC2 Cloud

tutorial · 7 years ago
by Tim Dudgeon (ChemAxon)
Instant JChem
This animation shows how Instant JChem is running on the Amazon EC2 Cloud. Instant JChem is served up using Citrix. The first thing that needs to be done is to log in. Enter the username and password and Citrix shows you the deployed applications. One of them is Instant JChem, click on that. Citrix then loads Instant JChem. In the animation we already have a shared project installed and configured. This shows us the antimalarial data which is known as the Tcams dataset. We have a project already set up in Instant JChem. We connect to it, the authentication can be hooked up into the active directory server served up on the Windows device. Therefor username and password can be your Windows username and password. Within this dataset - a relatively simple dataset - we have two views. One is the form view, the other is a spreadsheet view or grid view as we call it. This one is the more detailed form view where we can see the individual compounds and the compound IDs. These are shown in the matrix widget. You can scroll through the dataset and see all the structures. Here on the right we have got a tab widget in the form that let's you see different categories of data. Here some activity data, here some calculated data such as logP and polar surface area. Here you can see information about the target and here on the last tab some charts showing you scatter plots and histograms. We can select data within the dataset and we can also go and run queries. All of this is happening on the Amazon EC2 instance. It is just the user interface that is displayed here on the Citrix desktop. This is a true multi-user environment. All the person needs to have in order to connect to this, is a Citrix client. Our Citrix client is available for Windows, Mac, Linux and other systems. Obviously you will need a login on the system itself which would be set up by the system administrator. This was the quick tool of Instant JChem running on the EC2 Cloud.