FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4381715392> ?p ?o ?g. }

• W4381715392 endingPage "4011" @default.
• W4381715392 startingPage "3999" @default.
• W4381715392 abstract "The modulating effect of chemical compounds and therapeutics on gene transcription is well-reported and has been intensively studied for both clinical and research purposes. Emerging research points toward the utility of drug-induced transcriptional alterations in de novo molecular design and highlights the idea of phenotype-matching an expression signature of interest to the structures being designed. In this work, we build an autoencoder-based generative model, BiCEV, around this concept. Our generative autoencoder has demonstrably generated a set of new molecules from gene expression input with notable validity (96%), uniqueness (98%), and internal diversity (0.77). Further, we attempted to validate BiCEV by testing the model on gene-knockdown profiles and combined signatures of synergistic drug pairs. From these investigations, we found the designed structures to be consistently high in collective quality. However, when their similarities to the supposed functional equivalents as determined by shared targets were considered, the findings were somewhat mixed. In spite of this, we believe the generative model merits further development in conjunction with in vitro corroboration to lend itself to being an assistive tool for drug discovery experts, particularly to support the initial stages of hit identification and lead optimization." @default.
• W4381715392 created "2023-06-24" @default.
• W4381715392 creator A5009003964 @default.
• W4381715392 creator A5057571116 @default.
• W4381715392 creator A5078505383 @default.
• W4381715392 creator A5079103855 @default.
• W4381715392 date "2023-06-22" @default.
• W4381715392 modified "2023-09-27" @default.
• W4381715392 title "De Novo Design of Molecules with Multiaction Potential from Differential Gene Expression using Variational Autoencoder" @default.
• W4381715392 cites W1562424368 @default.
• W4381715392 cites W1696775091 @default.
• W4381715392 cites W1757990252 @default.
• W4381715392 cites W1974419458 @default.
• W4381715392 cites W1975147762 @default.
• W4381715392 cites W2005518172 @default.
• W4381715392 cites W2015789827 @default.
• W4381715392 cites W2034549041 @default.
• W4381715392 cites W2058669819 @default.
• W4381715392 cites W2060737851 @default.
• W4381715392 cites W2064675550 @default.
• W4381715392 cites W2080635178 @default.
• W4381715392 cites W2114704115 @default.
• W4381715392 cites W2118993986 @default.
• W4381715392 cites W2145546477 @default.
• W4381715392 cites W2160592148 @default.
• W4381715392 cites W2172140247 @default.
• W4381715392 cites W2200017991 @default.
• W4381715392 cites W2543780891 @default.
• W4381715392 cites W2578240541 @default.
• W4381715392 cites W2610148085 @default.
• W4381715392 cites W2610846423 @default.
• W4381715392 cites W2612467560 @default.
• W4381715392 cites W2621361707 @default.
• W4381715392 cites W2757764553 @default.
• W4381715392 cites W2783897572 @default.
• W4381715392 cites W2794994220 @default.
• W4381715392 cites W2900090807 @default.
• W4381715392 cites W2914542247 @default.
• W4381715392 cites W2950860419 @default.
• W4381715392 cites W2953128081 @default.
• W4381715392 cites W2963445908 @default.
• W4381715392 cites W2963609389 @default.
• W4381715392 cites W2971690404 @default.
• W4381715392 cites W2991736596 @default.
• W4381715392 cites W2995422623 @default.
• W4381715392 cites W2998571806 @default.
• W4381715392 cites W2999242200 @default.
• W4381715392 cites W3000350302 @default.
• W4381715392 cites W3016876724 @default.
• W4381715392 cites W3098269892 @default.
• W4381715392 cites W3100015175 @default.
• W4381715392 cites W3108004614 @default.
• W4381715392 cites W3133523400 @default.
• W4381715392 cites W3199618438 @default.
• W4381715392 cites W3201411589 @default.
• W4381715392 cites W4205221662 @default.
• W4381715392 cites W4226412029 @default.
• W4381715392 cites W4283811348 @default.
• W4381715392 cites W4299518610 @default.
• W4381715392 cites W4299831585 @default.
• W4381715392 cites W4311415873 @default.
• W4381715392 cites W4361000628 @default.
• W4381715392 doi "https://doi.org/10.1021/acs.jcim.3c00355" @default.
• W4381715392 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37347587" @default.
• W4381715392 hasPublicationYear "2023" @default.
• W4381715392 type Work @default.
• W4381715392 citedByCount "0" @default.
• W4381715392 crossrefType "journal-article" @default.
• W4381715392 hasAuthorship W4381715392A5009003964 @default.
• W4381715392 hasAuthorship W4381715392A5057571116 @default.
• W4381715392 hasAuthorship W4381715392A5078505383 @default.
• W4381715392 hasAuthorship W4381715392A5079103855 @default.
• W4381715392 hasConcept C101738243 @default.
• W4381715392 hasConcept C104317684 @default.
• W4381715392 hasConcept C108583219 @default.
• W4381715392 hasConcept C138885662 @default.
• W4381715392 hasConcept C154945302 @default.
• W4381715392 hasConcept C167966045 @default.
• W4381715392 hasConcept C173396325 @default.
• W4381715392 hasConcept C179926584 @default.
• W4381715392 hasConcept C199360897 @default.
• W4381715392 hasConcept C39890363 @default.
• W4381715392 hasConcept C41008148 @default.
• W4381715392 hasConcept C41895202 @default.
• W4381715392 hasConcept C54355233 @default.
• W4381715392 hasConcept C60644358 @default.
• W4381715392 hasConcept C70721500 @default.
• W4381715392 hasConcept C74187038 @default.
• W4381715392 hasConcept C86803240 @default.
• W4381715392 hasConcept C90559484 @default.
• W4381715392 hasConceptScore W4381715392C101738243 @default.
• W4381715392 hasConceptScore W4381715392C104317684 @default.
• W4381715392 hasConceptScore W4381715392C108583219 @default.
• W4381715392 hasConceptScore W4381715392C138885662 @default.
• W4381715392 hasConceptScore W4381715392C154945302 @default.
• W4381715392 hasConceptScore W4381715392C167966045 @default.
• W4381715392 hasConceptScore W4381715392C173396325 @default.
• W4381715392 hasConceptScore W4381715392C179926584 @default.

• next