Calculation of Descriptors
Submission Form
You may submit molecules using any of the 3 methods.
1. Sketch using JME editor.
2. Paste molecules in the box.
3. Upload file containing moleclues in standard format.
Option 2 and 3 allow users to submit more than one molecule (upto 10).
Job Name
(optional)
Email Address
(Optional):
(Please enter your email address if you want to receive your result via email)
Method 1.
Sketch Structure using JME editor
Warning ::Your Browser is either Not Supporting Applets or Java, Kindly use a browser that understands applets
You have to enable Java and JavaScritpt on your machine !
Method 2.
Paste structure in Mol/SMILE/SDF format (Example
Test.sdf
Test.mol
Test.smi)
Method 3.
Upload File :
Select the input format (If used Method 2 or 3)
MOL
SMILE
SDF
PaDEL descriptors
2D
3D
Fingerprinter
ExtendedFP
EStateFP
GraphOnlyFP
MACCSFP
PubChemFP
SubStrFP
SubStrFPC
KlekotaRothFP
KlekotaRothFPC
WebCDK
webcdk
V-life
vlife
