Graphical representations of molecular properties

In this Step the following graphical represenations are presented:
PCA2 vs PCA1 Principal Component Analysis (PCA) first component (PCA1) against the second component (PCA2), based on the tanimoto coefficient (distance).
PSA vs logP Logarithm of the calculated Partition coefficient (logP) against the Polar Surface Area (PSA).
PSA vs MW Molecular Weight (MW) against the Polar Surface Area (PSA).
logP vs MWMolecular Weight (MW) against Logarithm of the calculated Partition coefficient (logP).
Plots are created by using the Raphaël javascript library.

• Step 1.
Please, Upload files* in either ".sdf", or ".mol" format.

*Warning:
‒ Uploaded filename should not contain any special character i.e. @%$^.-~
‒ Files are temporary saved on the server and deleted after processing.
‒ File should contain more than two (2) compounds in order to work.
‒ Maximum allowed upload size is 100MB .

• Final Step.

Processing Data...

Please wait few minutes,
Do not Press Refresh or Any Other Button,
Results will be displayed automatically.

Filtering

Clustering

Networking

Graphical representations of molecular properties