MolPort API History of Changes

11th October, 2015

MolPort API has been update to version v.3.0. Such new features were introduced:
1. New interfaces implemented to allow to execute chemical search by SMILES. We support exact, similarity, substructure and superstructure chemical searches. Latest API documentation can be found here.
2. Migration from XML to JSON data format.
3. Updated Java and C# demo projects.

Release comments

JSON data format is much more friendly than XML - it is smaller, human readable and can now be used with all popular programming languages. To illustrate the beauty of JSON, below you can find the example of chemical search for structure CC(C)(C)OC(=O)N1CCCCCC1C(O)=O:

Request:

{
	"UserName":<username>,
	"Password":<password>,
	"Structure":"CC(C)(C)OC(=O)N1CCCCCC1C(O)=O",
	"Search Type":6,
	"Maximum Search Time":60000,
	"Maximum Result Count":1000
}

Response:

{
	"Result": {
		"Status": 1,
		"Message": "Chemical search completed!"
	},
	"Data": {
		"Molecules": [{
			"Id": 432,
			"MolPort Id": "MolPort-000-000-432",
			"SMILES": "CC(C)(C)OC(=O)N1CCCCCC1C(O)=O",
			"Similarity Index": 0.0
		}],
		"Version": "v.1.0"
	}
}

Please, visit JSON.org to find necessary JSON serializers/deserializers.

8th August, 2013

MolPort API v.2.0 initial release.

20th June, 2011

MolPort Siple API v.1.0 initial release.