Matches in SemOpenAlex for { <https://semopenalex.org/work/W2037702942> ?p ?o ?g. }
Showing items 1 to 89 of
89
with 100 items per page.
- W2037702942 endingPage "1191" @default.
- W2037702942 startingPage "1185" @default.
- W2037702942 abstract "Similarity searches based on chemical descriptors have proven extremely useful in aiding large-scale drug screening. Here we present results of similarity searching using Latent Semantic Structure Indexing (LaSSI). LaSSI uses a singular value decomposition on chemical descriptors to project molecules into a k-dimensional descriptor space, where k is the number of retained singular values. The effect of the projection is that certain descriptors are emphasized over others and some descriptors may count as partially equivalent to others. We compare LaSSI searches to searches done with TOPOSIM, our standard in-house method, which uses the Dice similarity definition. Standard descriptor-based methods such as TOPOSIM count all descriptors equally and treat all descriptors as independent. For this work we use atom pairs and topological torsions as examples of chemical descriptors. Using objective criteria to determine how effective one similarity method is versus another in selecting active compounds from a large database, we find for a series of 16 drug-like probes that LaSSI is as good as or better than TOPOSIM in selecting active compounds from the MDDR database, if the user is allowed to treat k as an adjustable parameter. Typically, LaSSI selects very different sets of actives than does TOPOSIM, so it can find classes of actives that TOPOSIM would miss." @default.
- W2037702942 created "2016-06-24" @default.
- W2037702942 creator A5015071845 @default.
- W2037702942 creator A5016980741 @default.
- W2037702942 creator A5069359284 @default.
- W2037702942 creator A5069974203 @default.
- W2037702942 creator A5082475080 @default.
- W2037702942 creator A5083298829 @default.
- W2037702942 date "2001-03-20" @default.
- W2037702942 modified "2023-10-08" @default.
- W2037702942 title "Chemical Similarity Searches Using Latent Semantic Structural Indexing (LaSSI) and Comparison to TOPOSIM" @default.
- W2037702942 cites W2014996787 @default.
- W2037702942 cites W2016979469 @default.
- W2037702942 cites W2021748110 @default.
- W2037702942 cites W2026910177 @default.
- W2037702942 cites W2096729078 @default.
- W2037702942 doi "https://doi.org/10.1021/jm000392k" @default.
- W2037702942 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/11312918" @default.
- W2037702942 hasPublicationYear "2001" @default.
- W2037702942 type Work @default.
- W2037702942 sameAs 2037702942 @default.
- W2037702942 citedByCount "18" @default.
- W2037702942 countsByYear W20377029422013 @default.
- W2037702942 countsByYear W20377029422017 @default.
- W2037702942 countsByYear W20377029422019 @default.
- W2037702942 countsByYear W20377029422020 @default.
- W2037702942 crossrefType "journal-article" @default.
- W2037702942 hasAuthorship W2037702942A5015071845 @default.
- W2037702942 hasAuthorship W2037702942A5016980741 @default.
- W2037702942 hasAuthorship W2037702942A5069359284 @default.
- W2037702942 hasAuthorship W2037702942A5069974203 @default.
- W2037702942 hasAuthorship W2037702942A5082475080 @default.
- W2037702942 hasAuthorship W2037702942A5083298829 @default.
- W2037702942 hasConcept C103278499 @default.
- W2037702942 hasConcept C11413529 @default.
- W2037702942 hasConcept C115961682 @default.
- W2037702942 hasConcept C119857082 @default.
- W2037702942 hasConcept C124101348 @default.
- W2037702942 hasConcept C130318100 @default.
- W2037702942 hasConcept C139489369 @default.
- W2037702942 hasConcept C153180895 @default.
- W2037702942 hasConcept C154945302 @default.
- W2037702942 hasConcept C164126121 @default.
- W2037702942 hasConcept C164923092 @default.
- W2037702942 hasConcept C185592680 @default.
- W2037702942 hasConcept C22789450 @default.
- W2037702942 hasConcept C24259465 @default.
- W2037702942 hasConcept C41008148 @default.
- W2037702942 hasConcept C57493831 @default.
- W2037702942 hasConcept C75165309 @default.
- W2037702942 hasConceptScore W2037702942C103278499 @default.
- W2037702942 hasConceptScore W2037702942C11413529 @default.
- W2037702942 hasConceptScore W2037702942C115961682 @default.
- W2037702942 hasConceptScore W2037702942C119857082 @default.
- W2037702942 hasConceptScore W2037702942C124101348 @default.
- W2037702942 hasConceptScore W2037702942C130318100 @default.
- W2037702942 hasConceptScore W2037702942C139489369 @default.
- W2037702942 hasConceptScore W2037702942C153180895 @default.
- W2037702942 hasConceptScore W2037702942C154945302 @default.
- W2037702942 hasConceptScore W2037702942C164126121 @default.
- W2037702942 hasConceptScore W2037702942C164923092 @default.
- W2037702942 hasConceptScore W2037702942C185592680 @default.
- W2037702942 hasConceptScore W2037702942C22789450 @default.
- W2037702942 hasConceptScore W2037702942C24259465 @default.
- W2037702942 hasConceptScore W2037702942C41008148 @default.
- W2037702942 hasConceptScore W2037702942C57493831 @default.
- W2037702942 hasConceptScore W2037702942C75165309 @default.
- W2037702942 hasIssue "8" @default.
- W2037702942 hasLocation W20377029421 @default.
- W2037702942 hasLocation W20377029422 @default.
- W2037702942 hasOpenAccess W2037702942 @default.
- W2037702942 hasPrimaryLocation W20377029421 @default.
- W2037702942 hasRelatedWork W1976265003 @default.
- W2037702942 hasRelatedWork W2048865712 @default.
- W2037702942 hasRelatedWork W2054476758 @default.
- W2037702942 hasRelatedWork W2146905318 @default.
- W2037702942 hasRelatedWork W2209508054 @default.
- W2037702942 hasRelatedWork W2370378377 @default.
- W2037702942 hasRelatedWork W2547364925 @default.
- W2037702942 hasRelatedWork W2950215794 @default.
- W2037702942 hasRelatedWork W3024364549 @default.
- W2037702942 hasRelatedWork W4206019083 @default.
- W2037702942 hasVolume "44" @default.
- W2037702942 isParatext "false" @default.
- W2037702942 isRetracted "false" @default.
- W2037702942 magId "2037702942" @default.
- W2037702942 workType "article" @default.