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The method uses conformal prediction to produce valid measures of prediction efficiency for a particular confidence level. The service also offers the possibility to dock chemical structures to the panel of targets with QuickVina on individual compound basis.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Results<\/jats:title>\n                    <jats:p>The docking procedure and resulting models were validated by docking well-known inhibitors for each of the 7 targets using QuickVina. The model predictions showed comparable performance to molecular docking scores against an external validation set. The implementation as publicly available microservices on Kubernetes ensures resilience, scalability, and extensibility.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.1186\/s13321-020-00464-1","type":"journal-article","created":{"date-parts":[[2020,10,15]],"date-time":"2020-10-15T16:02:46Z","timestamp":1602777766000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Predicting target profiles with confidence as a service using docking scores"],"prefix":"10.1186","volume":"12","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6877-3702","authenticated-orcid":false,"given":"Laeeq","family":"Ahmed","sequence":"first","affiliation":[]},{"given":"Hiba","family":"Alogheli","sequence":"additional","affiliation":[]},{"given":"Staffan Arvidsson","family":"McShane","sequence":"additional","affiliation":[]},{"given":"Jonathan","family":"Alvarsson","sequence":"additional","affiliation":[]},{"given":"Arvid","family":"Berg","sequence":"additional","affiliation":[]},{"given":"Anders","family":"Larsson","sequence":"additional","affiliation":[]},{"given":"Wesley","family":"Schaal","sequence":"additional","affiliation":[]},{"given":"Erwin","family":"Laure","sequence":"additional","affiliation":[]},{"given":"Ola","family":"Spjuth","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2020,10,15]]},"reference":[{"issue":"10","key":"464_CR1","doi-asserted-by":"publisher","first-page":"1119","DOI":"10.1038\/nbt1338","volume":"25","author":"MA Y\u0131ld\u0131r\u0131m","year":"2007","unstructured":"Y\u0131ld\u0131r\u0131m MA, Goh K-I, Cusick ME, Barab\u00e1si A-L, Vidal M (2007) Drug target network. 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