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Descriptors Generation
AI-based Scoring Functions
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Descriptors Generation
Example files
Target-specific
Generic
Raw file
Result data
Result view
Raw file
Result data
Result view
Warning
In view of copyright issues with some computational tools, we have stopped their external services.
Please choose
at least one descriptor generation tool
before submitting your job.
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Job name
Upload file (.zip)
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Calculation mode
Minimization
Score only
Both
Select descriptors
Energy terms from scoring functions
AffiScore
AutoDock
DSX
GalaxyDockBP2
NNScore
SMoG2016
Molecular fingerprints and Protein pocket
DPOCKET
ECFP
PubchemFP
Unavailable due to license restrictions
ChemScore
ChemPLP
GoldScore
ASP
Glide SP
Glide XP