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+{
+ "abstracts": [
+ {
+ "content": "Additional file 5. Training dataset including descriptors for model training in KNIME.",
+ "lang": "en",
+ "mimetype": "text/plain",
+ "sha1": "2ba436fe8d7ba2d4c14cd6504c86d18e2e23e897"
+ }
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+ "contribs": [
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+ "creator_id": "vvwji2qxtjcfvjkqfpajty6gcq",
+ "given_name": "Lindsey",
+ "index": 0,
+ "raw_name": "Lindsey Burggraaff",
+ "role": "author",
+ "surname": "Burggraaff"
+ },
+ {
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+ "given_name": "Herman W. T. Van",
+ "index": 1,
+ "raw_name": "Herman W. T. Van Vlijmen",
+ "role": "author",
+ "surname": "Vlijmen"
+ },
+ {
+ "creator_id": "ubza4wq6y5firpvhmggdhkx4iu",
+ "given_name": "Adriaan P.",
+ "index": 2,
+ "raw_name": "Adriaan P. IJzerman",
+ "role": "author",
+ "surname": "IJzerman"
+ },
+ {
+ "creator_id": "nubaqnhoanhfdcamx4bhzyc3wu",
+ "given_name": "Gerard J. P. Van",
+ "index": 3,
+ "raw_name": "Gerard J. P. Van Westen",
+ "role": "author",
+ "surname": "Westen"
+ }
+ ],
+ "ext_ids": {
+ "doi": "10.6084/m9.figshare.12299333.v1"
+ },
+ "extra": {
+ "datacite": {
+ "license": [
+ {
+ "rights": "CC BY + CC0",
+ "rightsUri": "https://creativecommons.org/licenses/by/4.0"
+ }
+ ],
+ "relations": [
+ {
+ "relatedIdentifier": "10.1186/s13321-020-00438-3",
+ "relatedIdentifierType": "DOI",
+ "relationType": "IsSupplementTo"
+ },
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+ "relatedIdentifierType": "DOI",
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+ }
+ ],
+ "resourceType": "Dataset",
+ "resourceTypeGeneral": "Dataset",
+ "subjects": [
+ {
+ "subject": "Biochemistry"
+ },
+ {
+ "subject": "Genetics"
+ },
+ {
+ "subject": "Pharmacology"
+ },
+ {
+ "subject": "Biotechnology"
+ },
+ {
+ "subject": "Evolutionary Biology"
+ },
+ {
+ "schemeUri": "http://www.abs.gov.au/ausstats/abs@.nsf/0/6BB427AB9696C225CA2574180004463E",
+ "subject": "39999 Chemical Sciences not elsewhere classified",
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+ },
+ {
+ "schemeUri": "http://www.abs.gov.au/ausstats/abs@.nsf/0/6BB427AB9696C225CA2574180004463E",
+ "subject": "69999 Biological Sciences not elsewhere classified",
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+ "subject": "80699 Information Systems not elsewhere classified",
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+ },
+ {
+ "schemeUri": "http://www.abs.gov.au/ausstats/abs@.nsf/0/6BB427AB9696C225CA2574180004463E",
+ "subject": "110309 Infectious Diseases",
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+ }
+ ]
+ },
+ "release_month": 5
+ },
+ "ident": "mjapiqe2nzcy3fs3hriw253dye",
+ "license_slug": "CC-BY",
+ "publisher": "figshare",
+ "refs": [],
+ "release_date": "2020-05-14",
+ "release_stage": "published",
+ "release_type": "stub",
+ "release_year": 2020,
+ "revision": "bf7b5006-34e1-48cc-a200-3b0a31051bfb",
+ "state": "active",
+ "title": "Additional file 5 of Quantitative prediction of selectivity between the A1 and A2A adenosine receptors",
+ "work_id": "ax5zrfpr45ew3kllngb2f5m27m"
+}