Neighbor_Search

A simplified interface to "nearest neighbor" tools
THIS IS SAMPLE OUTPUT. THIS FORM WILL NOT FUNCTION.

To search for neighbors of a compound:

Select databases you wish to search
SC	nnnnnn Compounds	Sep 4 1996
CP	nnnnnn Compounds	Sep 16 1996
ACD	nnnnnn Compounds	Jan 6 1997
CAP	nnnnnn Compounds	Oct 28 1996

Enter the desired similarity thresholds:	lower:	upper:
Enter the desired neighbor thresholds:	lower:	upper:

Enter compound # or SMILES, then Add it to the list of search compounds:

...or draw a structure using the

To save any changes to thresholds, database choices, print rows and columns, etc.

List of Search Compounds

Compound ID Structure Properties

test1

clogP -0.783
cmr 5.818
heavy_atoms 15
hetero_atoms 4
heavy_bonds 15
charge 0
charged_atoms 0
rings 1
aro_rings 1
formula C₁₁H₁₆N₂O₂
formula_wt 208.2612

Display Properties Structures Smiles

Compound ID	Structure	Properties
test1		clogP	-0.783
cmr	5.818
heavy_atoms	15
hetero_atoms	4
heavy_bonds	15
charge	0
charged_atoms	0
rings	1
aro_rings	1
formula	C₁₁H₁₆N₂O₂
formula_wt	208.2612

To see results from a previous search:

Enter filename of previously saved results:

Neighbor_Search

A simplified interface to "nearest neighbor" tools THIS IS SAMPLE OUTPUT. THIS FORM WILL NOT FUNCTION.

List of Search Compounds

A simplified interface to "nearest neighbor" tools
THIS IS SAMPLE OUTPUT. THIS FORM WILL NOT FUNCTION.