ChemDB / Supplements / Comparison: Availabilty of Sources
Supplements		Download		Implementation		Analysis

Data Availability	zinc	chembank	pubchem	chemdb
Downloadable (Full)	X		X	X
Downloadable (Subsets)	X	X	X	X
Link to ChemBank		X		X
Link to Medline			X	V
Link to PDB			X
Link to PubChem			X	X
Size (millions)	~3.4	~1	~1	~4
Training Datasets				X
Queries	zinc	chembank	pubchem	chemdb
New Search Development				X
Open Source Utilities
Statistical Significance				X
by 2D Consensus				X
by 2D Similarity		X	X	X
by 2D Sub / Super-Structure	X	X	X	X
by Drug Relevant Properties	X	X		X
by Name		X	X
by Vendor	X			X
Annotations	zinc	chembank	pubchem	chemdb
3D Coordinates (predicted)	X			X
CAS #		X		V
Chiral Atoms	X			X
Chiral Bonds	X			X
Desolvation Energy	X			X
Experimental LogP	X			V
Functional Groups	X			X
H-Bond Donors / Acceptors	X			X
IUPAC Name		X	X	V
Isomer Configurations				up to 16
Literature Information		X	V
Molecular Formula	X	X	X	X
Molecular Weight	X	X	X	X
Net Charge	X
Predicted LogP	X			X
Price				V
Rigid Fragments	X			X
Screening Data		X
Synonymous Names		X	X	V
Vendor Annotations				V
Vendor Catalog #	X		X	X

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