HOW TO USE
**Prerequisites
	+ Java 1.8+ is required to run the application.
	+ drug.l8.chembl23.canon.ws20.txt is required in order to compute SMILESVec similarity. You should place it under the same folder with jar file.
	+ CDK (Chemistry Development Kit) to compute similarity. (https://github.com/cdk)
	
** How to run
	+ java -jar ligandcentricnetwork.jar input.txt operationNo
	Operations
	(1) CDK's own similarity, (
	(2) Lingo-based SMILES similarity, 
	(3) SmilesVec (average) similarity, 
	(4) SmilesVec (min-max) similarity.
** Input
	+ To use your own data, you should prepare it in the following input form in a text file,

	ProteinID		LigandID		SMILES
	
	e.g.sample_input.txt,
	P25910		MES		C1COCC[NH+]1CCS(=O)(=O)[O-]
	P0C5C1		SFR		C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O
	P0AD64		17O		c1c2n(nc1C3C(=CNC(=CS3)C(=O)O)C=O)CSC2
	....


** Output

	+ Six different text files each containing a network table are produced. They can be easily imported into Cytoscape.

	1.	"ide_unw.txt",		unweighted identity
	2.	"ide_wei.txt",		weighted identity
	3.	"ide_norm_wei.txt",		normalized weighted identity
	4.	"sim_unw.txt",		unweighted similarity
	5.	"sim_wei.txt",		weighted similarity
	6.	"sim_norm_wei.txt",		normalized weighted similarity