datablend

{ 
    "compound_cid" : "46200001" , 
    "smiles" : "CCC1C(C(C(C(=NOCC=CCN2CCCCC2)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)CC5=CC=CC=C5)O)(C)O)C)C)O)(C)O" ,
    "fingerprint_count" : 120 , 
    "fingerprints" : [ 
        "0[N]1[C O]2[C C C]" ,
        "0[N]1[C O]2[C C C]3[C C C C C]" ,
        "0[C]1[C C C]2[C C N O]3[C C C C O O]" ,
        "0[C]1[C C]2[C C C C O]3[C C N O]" ,
        "0[O]1[C]2[C O]3[C C C]" , 

datablend

{ 
    "fingerprint" : "0[N]1[C O]2[C C C]",
    "count" : 472
}
{ 
    "fingerprint" : "0[N]1[C O]2[C C C]3[C C C C C]",
    "count" : 41
}
{
    "fingerprint" : "0[O]1[C]2[C O]3[C C C]",

datablend

// Calculate the essential numbers
int maxnumberofcompoundfingerprints = (int) (fingerprintsToFind.size() / 0.6);
int minnumberofcompoundfingerprints = (int) (fingerprintsToFind.size() * 0.6);
int numberoffingerprintstoconsider = fingerprintsToFind.size() - minnumberofcompoundfingerprints;

List<String> fingerprintsToConsider = fingerprintsToFind.subList(0,numberoffingerprintstoconsider+1);

// Find all compounds that satisfy the specified conditions
DBObject compoundquery =   
    QueryBuilder.start(FINGERPRINTS_PROPERTY).in(fingerprintsToConsider)

datablend

neograph = new Neo4jGraph("var/rdf");
// Let's use manual transaction mode
neograph.setMaxBufferSize(0);
sail = new ForwardChainingRDFSInferencer(new GraphSail(neograph));
sail.initialize();
connection = sail.getConnection();
        

datablend

InferenceLoop loop = new InferenceLoop();
Scanner in = new Scanner(System.in);
while (true) {
   System.out.println("Provide RDF statement:");
   System.out.print("=> ");
   String input = in.nextLine();
   System.out.println("The following edges were created:");
   loop.inference(input);
}

datablend

// Parses and add the RDF statement accordingly
public void inference(String statement) throws SailException, InterruptedException {
   String[] triple = statement.split(" ");
   inference(new URIImpl(triple[0]), new URIImpl(triple[1]), new URIImpl(triple[2]));
}

// Add the inference
public void inference(URI subject, URI predicate, URI object) throws SailException, InterruptedException {
   neograph.startTransaction();
   connection.addStatement(subject, predicate, object);

datablend

// Parses and add the RDF statement accordingly
public void inference(String statement) throws SailException, InterruptedException {
   String[] triple = statement.split(" ");
   inference(new URIImpl(triple[0]), new URIImpl(triple[1]), new URIImpl(triple[2]));
}

// Add the inference
public void inference(URI subject, URI predicate, URI object) throws SailException, InterruptedException {
   neograph.startTransaction();
   connection.addStatement(subject, predicate, object);

datablend

public class PushTransactionEventHandler implements TransactionEventHandler<Object> {

   private int id = 1;

   public void afterCommit(TransactionData transactionData, Object o) {
      // Retrieve the created relationships. (The relevant nodes will be retrieved through these relationships)
      Iterable<Relationship> relationships = transactionData.createdRelationships();

      // Iterate and add
      for (Relationship relationship : relationships) {

datablend

public class PushUtility {

   private static final String url = "http://localhost:8080/workspace0?operation=updateGraph";
   private static final String nodejson = "{\"an\":{\"%1$s\":{\"label\":\"%1$s\"}}}";
   private static final String edgejson = "{\"ae\":{\"%1$d\":{\"source\":\"%2$s\",\"target\":\"%3$s\",\"directed\":true,\"label\":\"%4$s\",\"inferred\":\"%5$b\"}}}";

   private static void push(String message) {
      try {
         // Create a connection and push the node or edge json message
         HttpURLConnection con = (HttpURLConnection) new URL(url).openConnection();

datablend

http://datablend.be/example/teaches http://www.w3.org/2000/01/rdf-schema#domain http://datablend.be/example/teacher
http://datablend.be/example/teaches http://www.w3.org/2000/01/rdf-schema#range http://datablend.be/example/student
http://datablend.be/example/Davy http://datablend.be/example/teaches http://datablend.be/example/Bob