{ "abstracts": [ { "content": "Additional file 5. Training dataset including descriptors for model training in KNIME.", "lang": "en", "mimetype": "text/plain", "sha1": "2ba436fe8d7ba2d4c14cd6504c86d18e2e23e897" } ], "contribs": [ { "creator_id": "vvwji2qxtjcfvjkqfpajty6gcq", "given_name": "Lindsey", "index": 0, "raw_name": "Lindsey Burggraaff", "role": "author", "surname": "Burggraaff" }, { "creator_id": "om3ue3lgxbdvxpkjncz4k7j4yq", "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" }, { "relatedIdentifier": "10.6084/m9.figshare.12299333", "relatedIdentifierType": "DOI", "relationType": "IsIdenticalTo" } ], "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", "subjectScheme": "FOR" }, { "schemeUri": "http://www.abs.gov.au/ausstats/abs@.nsf/0/6BB427AB9696C225CA2574180004463E", "subject": "69999 Biological Sciences not elsewhere classified", "subjectScheme": "FOR" }, { "schemeUri": "http://www.abs.gov.au/ausstats/abs@.nsf/0/6BB427AB9696C225CA2574180004463E", "subject": "80699 Information Systems not elsewhere classified", "subjectScheme": "FOR" }, { "schemeUri": "http://www.abs.gov.au/ausstats/abs@.nsf/0/6BB427AB9696C225CA2574180004463E", "subject": "110309 Infectious Diseases", "subjectScheme": "FOR" } ] }, "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" }