FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1775897493> ?p ?o ?g. }

• W1775897493 endingPage "3394" @default.
• W1775897493 startingPage "3392" @default.
• W1775897493 abstract "Abstract Summary: We have developed Rchempp, a web service that identifies structurally similar compounds (structural analogs) in large-scale molecule databases. The service allows compounds to be queried in the widely used ChEMBL, DrugBank and the Connectivity Map databases. Rchemcpp utilizes the best performing similarity functions, i.e. molecule kernels, as measures for structural similarity. Molecule kernels have proven superior performance over other similarity measures and are currently excelling at machine learning challenges. To considerably reduce computational time, and thereby make it feasible as a web service, a novel efficient prefiltering strategy has been developed, which maintains the sensitivity of the method. By exploiting information contained in public databases, the web service facilitates many applications crucial for the drug development process, such as prioritizing compounds after screening or reducing adverse side effects during late phases. Rchemcpp was used in the DeepTox pipeline that has won the Tox21 Data Challenge and is frequently used by researchers in pharmaceutical companies. Availability and implementation: The web service and the R package are freely available via http://shiny.bioinf.jku.at/Analoging/ and via Bioconductor. Contact: hochreit@bioinf.jku.at Supplementary information: Supplementary data are available at Bioinformatics online." @default.
• W1775897493 created "2016-06-24" @default.
• W1775897493 creator A5009682484 @default.
• W1775897493 creator A5045629133 @default.
• W1775897493 creator A5053148274 @default.
• W1775897493 creator A5071716296 @default.
• W1775897493 creator A5079632405 @default.
• W1775897493 creator A5083016682 @default.
• W1775897493 date "2015-06-17" @default.
• W1775897493 modified "2023-10-11" @default.
• W1775897493 title "Rchemcpp: a web service for structural analoging in ChEMBL, Drugbank and the Connectivity Map" @default.
• W1775897493 cites W1980177098 @default.
• W1775897493 cites W1988807132 @default.
• W1775897493 cites W2007667104 @default.
• W1775897493 cites W2018518196 @default.
• W1775897493 cites W2026625220 @default.
• W1775897493 cites W2028279608 @default.
• W1775897493 cites W2053080554 @default.
• W1775897493 cites W2081301924 @default.
• W1775897493 cites W2096541451 @default.
• W1775897493 cites W2107126369 @default.
• W1775897493 cites W2109781356 @default.
• W1775897493 cites W2118249480 @default.
• W1775897493 cites W2120682915 @default.
• W1775897493 cites W2121604817 @default.
• W1775897493 cites W2136656278 @default.
• W1775897493 cites W2150930396 @default.
• W1775897493 cites W2155818154 @default.
• W1775897493 cites W2156983744 @default.
• W1775897493 cites W2167564939 @default.
• W1775897493 cites W2183423684 @default.
• W1775897493 doi "https://doi.org/10.1093/bioinformatics/btv373" @default.
• W1775897493 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26088801" @default.
• W1775897493 hasPublicationYear "2015" @default.
• W1775897493 type Work @default.
• W1775897493 sameAs 1775897493 @default.
• W1775897493 citedByCount "14" @default.
• W1775897493 countsByYear W17758974932016 @default.
• W1775897493 countsByYear W17758974932018 @default.
• W1775897493 countsByYear W17758974932019 @default.
• W1775897493 countsByYear W17758974932020 @default.
• W1775897493 countsByYear W17758974932021 @default.
• W1775897493 countsByYear W17758974932022 @default.
• W1775897493 crossrefType "journal-article" @default.
• W1775897493 hasAuthorship W1775897493A5009682484 @default.
• W1775897493 hasAuthorship W1775897493A5045629133 @default.
• W1775897493 hasAuthorship W1775897493A5053148274 @default.
• W1775897493 hasAuthorship W1775897493A5071716296 @default.
• W1775897493 hasAuthorship W1775897493A5079632405 @default.
• W1775897493 hasAuthorship W1775897493A5083016682 @default.
• W1775897493 hasBestOaLocation W17758974931 @default.
• W1775897493 hasConcept C111919701 @default.
• W1775897493 hasConcept C124101348 @default.
• W1775897493 hasConcept C136264566 @default.
• W1775897493 hasConcept C136764020 @default.
• W1775897493 hasConcept C155261790 @default.
• W1775897493 hasConcept C162324750 @default.
• W1775897493 hasConcept C2780035454 @default.
• W1775897493 hasConcept C2780378061 @default.
• W1775897493 hasConcept C35578498 @default.
• W1775897493 hasConcept C41008148 @default.
• W1775897493 hasConcept C43521106 @default.
• W1775897493 hasConcept C60644358 @default.
• W1775897493 hasConcept C63222358 @default.
• W1775897493 hasConcept C74187038 @default.
• W1775897493 hasConcept C86803240 @default.
• W1775897493 hasConcept C98045186 @default.
• W1775897493 hasConcept C98274493 @default.
• W1775897493 hasConceptScore W1775897493C111919701 @default.
• W1775897493 hasConceptScore W1775897493C124101348 @default.
• W1775897493 hasConceptScore W1775897493C136264566 @default.
• W1775897493 hasConceptScore W1775897493C136764020 @default.
• W1775897493 hasConceptScore W1775897493C155261790 @default.
• W1775897493 hasConceptScore W1775897493C162324750 @default.
• W1775897493 hasConceptScore W1775897493C2780035454 @default.
• W1775897493 hasConceptScore W1775897493C2780378061 @default.
• W1775897493 hasConceptScore W1775897493C35578498 @default.
• W1775897493 hasConceptScore W1775897493C41008148 @default.
• W1775897493 hasConceptScore W1775897493C43521106 @default.
• W1775897493 hasConceptScore W1775897493C60644358 @default.
• W1775897493 hasConceptScore W1775897493C63222358 @default.
• W1775897493 hasConceptScore W1775897493C74187038 @default.
• W1775897493 hasConceptScore W1775897493C86803240 @default.
• W1775897493 hasConceptScore W1775897493C98045186 @default.
• W1775897493 hasConceptScore W1775897493C98274493 @default.
• W1775897493 hasIssue "20" @default.
• W1775897493 hasLocation W17758974931 @default.
• W1775897493 hasLocation W17758974932 @default.
• W1775897493 hasOpenAccess W1775897493 @default.
• W1775897493 hasPrimaryLocation W17758974931 @default.
• W1775897493 hasRelatedWork W1775897493 @default.
• W1775897493 hasRelatedWork W1980135139 @default.
• W1775897493 hasRelatedWork W2029912875 @default.
• W1775897493 hasRelatedWork W203337256 @default.
• W1775897493 hasRelatedWork W2155958387 @default.
• W1775897493 hasRelatedWork W2431109715 @default.
• W1775897493 hasRelatedWork W2557522098 @default.
• W1775897493 hasRelatedWork W2887866551 @default.

• next