FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2904255552> ?p ?o ?g. }

• W2904255552 endingPage "294" @default.
• W2904255552 startingPage "287" @default.
• W2904255552 abstract "The COMBINE method was designed to study congeneric series of compounds including structural information of ligand–protein complexes. Although very successful, the method has not received the same level of attention than other alternatives to study Quantitative Structure Active Relationships (QSAR) mainly because lack of ways to measure the uncertainty of the predictions and the need for large datasets. Active learning, a semi-supervised learning approach that makes use of uncertainty to enhance models’ performance while reducing the size of the training sets, has been used in this work to address both problems. We propose two estimators of uncertainty: the pool of regressors and the distance to the training set. The performance of the methods has been evaluated by testing the resulting active learning workflows in 3 diverse datasets: HIV-1 protease inhibitors, Taxol-derivatives and BRD4 inhibitors. The proposed strategies were successful in 80% of the cases for the taxol-derivatives and BRD4 inhibitors, while outperformed random selection in the case of the HIV-1 protease inhibitors time-split. Our results suggest that AL-COMBINE might be an effective way of producing consistently superior QSAR models with a limited number of samples." @default.
• W2904255552 created "2018-12-22" @default.
• W2904255552 creator A5056460983 @default.
• W2904255552 creator A5064332138 @default.
• W2904255552 date "2018-12-18" @default.
• W2904255552 modified "2023-10-10" @default.
• W2904255552 title "Active learning strategies with COMBINE analysis: new tricks for an old dog" @default.
• W2904255552 cites W1988195734 @default.
• W2904255552 cites W1990964057 @default.
• W2904255552 cites W1991238353 @default.
• W2904255552 cites W1998168399 @default.
• W2904255552 cites W1999798000 @default.
• W2904255552 cites W2008212644 @default.
• W2904255552 cites W2017043087 @default.
• W2904255552 cites W2017844796 @default.
• W2904255552 cites W2022024670 @default.
• W2904255552 cites W2034339221 @default.
• W2904255552 cites W2040086703 @default.
• W2904255552 cites W2043990744 @default.
• W2904255552 cites W2045683699 @default.
• W2904255552 cites W2062764711 @default.
• W2904255552 cites W2078715304 @default.
• W2904255552 cites W2089107721 @default.
• W2904255552 cites W2096796641 @default.
• W2904255552 cites W2099988757 @default.
• W2904255552 cites W2118080283 @default.
• W2904255552 cites W2133123019 @default.
• W2904255552 cites W2144182447 @default.
• W2904255552 cites W2147993766 @default.
• W2904255552 cites W2154504007 @default.
• W2904255552 cites W2158066095 @default.
• W2904255552 cites W2159672956 @default.
• W2904255552 cites W2165618135 @default.
• W2904255552 cites W2248130879 @default.
• W2904255552 cites W2278921554 @default.
• W2904255552 cites W2314991324 @default.
• W2904255552 cites W2556851635 @default.
• W2904255552 cites W2783393147 @default.
• W2904255552 cites W2786756830 @default.
• W2904255552 doi "https://doi.org/10.1007/s10822-018-0181-3" @default.
• W2904255552 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7087723" @default.
• W2904255552 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30564994" @default.
• W2904255552 hasPublicationYear "2018" @default.
• W2904255552 type Work @default.
• W2904255552 sameAs 2904255552 @default.
• W2904255552 citedByCount "5" @default.
• W2904255552 countsByYear W29042555522019 @default.
• W2904255552 countsByYear W29042555522020 @default.
• W2904255552 countsByYear W29042555522021 @default.
• W2904255552 crossrefType "journal-article" @default.
• W2904255552 hasAuthorship W2904255552A5056460983 @default.
• W2904255552 hasAuthorship W2904255552A5064332138 @default.
• W2904255552 hasBestOaLocation W29042555521 @default.
• W2904255552 hasConcept C105795698 @default.
• W2904255552 hasConcept C111919701 @default.
• W2904255552 hasConcept C119857082 @default.
• W2904255552 hasConcept C144559511 @default.
• W2904255552 hasConcept C154945302 @default.
• W2904255552 hasConcept C164126121 @default.
• W2904255552 hasConcept C169258074 @default.
• W2904255552 hasConcept C177212765 @default.
• W2904255552 hasConcept C177264268 @default.
• W2904255552 hasConcept C185429906 @default.
• W2904255552 hasConcept C199360897 @default.
• W2904255552 hasConcept C33923547 @default.
• W2904255552 hasConcept C41008148 @default.
• W2904255552 hasConcept C77088390 @default.
• W2904255552 hasConcept C77967617 @default.
• W2904255552 hasConcept C81917197 @default.
• W2904255552 hasConceptScore W2904255552C105795698 @default.
• W2904255552 hasConceptScore W2904255552C111919701 @default.
• W2904255552 hasConceptScore W2904255552C119857082 @default.
• W2904255552 hasConceptScore W2904255552C144559511 @default.
• W2904255552 hasConceptScore W2904255552C154945302 @default.
• W2904255552 hasConceptScore W2904255552C164126121 @default.
• W2904255552 hasConceptScore W2904255552C169258074 @default.
• W2904255552 hasConceptScore W2904255552C177212765 @default.
• W2904255552 hasConceptScore W2904255552C177264268 @default.
• W2904255552 hasConceptScore W2904255552C185429906 @default.
• W2904255552 hasConceptScore W2904255552C199360897 @default.
• W2904255552 hasConceptScore W2904255552C33923547 @default.
• W2904255552 hasConceptScore W2904255552C41008148 @default.
• W2904255552 hasConceptScore W2904255552C77088390 @default.
• W2904255552 hasConceptScore W2904255552C77967617 @default.
• W2904255552 hasConceptScore W2904255552C81917197 @default.
• W2904255552 hasIssue "2" @default.
• W2904255552 hasLocation W29042555521 @default.
• W2904255552 hasLocation W29042555522 @default.
• W2904255552 hasLocation W29042555523 @default.
• W2904255552 hasLocation W29042555524 @default.
• W2904255552 hasOpenAccess W2904255552 @default.
• W2904255552 hasPrimaryLocation W29042555521 @default.
• W2904255552 hasRelatedWork W2911455822 @default.
• W2904255552 hasRelatedWork W3018959556 @default.
• W2904255552 hasRelatedWork W3174196512 @default.
• W2904255552 hasRelatedWork W3211546796 @default.
• W2904255552 hasRelatedWork W4281560664 @default.
• W2904255552 hasRelatedWork W4281616679 @default.

• next