FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4308602011> ?p ?o ?g. }

• W4308602011 endingPage "87" @default.
• W4308602011 startingPage "63" @default.
• W4308602011 abstract "The development of next generation non-steroidal anti-inflammatory drugs (NSAIDs) is one active area of research as inflammatory diseases continue to afflict over 1.5 billion people worldwide. The publicly available and computationally accessible chemical and biological data provide a wellspring of information for any research pursuit that could expedite the discovery of new anti-inflammatory drugs. Computational statistics is a handy tool in establishing quantitative relationship between the anti-inflammatory activity and the key molecular features that determine the compound’s medicinal property. In this work, Multiple Logistic Regression (MLogR) was employed to develop a mathematical model of the inhibitory activity of a compound on cyclooxygenase-2 (COX-2), an enzyme that facilitates the production of inflammatory prostanoids. The best model with hit ratio of 94% and 91% on the train and test set, respectively, was used to predict the classification (i.e. active or inactive) of newly designed coxib Derivatives and Similars obtained through similarity search. The predicted actives were further screened based on their quantitative estimate of druglikeness (QED), synthetic accessibility, and ADMETox properties. The selected top 15 hits have superior confidence as actives, are highly druglike and easy to synthesize, and generally possess outstanding drug profile." @default.
• W4308602011 created "2022-11-12" @default.
• W4308602011 creator A5024328621 @default.
• W4308602011 creator A5014450684 @default.
• W4308602011 date "2022-10-31" @default.
• W4308602011 modified "2023-09-26" @default.
• W4308602011 title "Multiple Logistic Regression Modeling of Compound Class as Active or Inactive Against COX-2 and Prediction on Designed Coxib Derivatives and Similar Compounds" @default.
• W4308602011 cites W1032721213 @default.
• W4308602011 cites W105152574 @default.
• W4308602011 cites W1494920110 @default.
• W4308602011 cites W1545231783 @default.
• W4308602011 cites W1964137480 @default.
• W4308602011 cites W1971948998 @default.
• W4308602011 cites W1975597967 @default.
• W4308602011 cites W1983527298 @default.
• W4308602011 cites W1985813197 @default.
• W4308602011 cites W1987353573 @default.
• W4308602011 cites W1987767189 @default.
• W4308602011 cites W1996454121 @default.
• W4308602011 cites W1997032474 @default.
• W4308602011 cites W1998347942 @default.
• W4308602011 cites W2009978158 @default.
• W4308602011 cites W2010503625 @default.
• W4308602011 cites W2016120738 @default.
• W4308602011 cites W2016522688 @default.
• W4308602011 cites W2018488725 @default.
• W4308602011 cites W2019728528 @default.
• W4308602011 cites W2019815534 @default.
• W4308602011 cites W2019920301 @default.
• W4308602011 cites W2023232134 @default.
• W4308602011 cites W2024289681 @default.
• W4308602011 cites W2026056700 @default.
• W4308602011 cites W2027104358 @default.
• W4308602011 cites W2029407509 @default.
• W4308602011 cites W2033211868 @default.
• W4308602011 cites W2033498682 @default.
• W4308602011 cites W2034376222 @default.
• W4308602011 cites W2034549041 @default.
• W4308602011 cites W2036353767 @default.
• W4308602011 cites W2051009681 @default.
• W4308602011 cites W2055526753 @default.
• W4308602011 cites W2060198845 @default.
• W4308602011 cites W2060468714 @default.
• W4308602011 cites W2065436165 @default.
• W4308602011 cites W2070398215 @default.
• W4308602011 cites W2073665106 @default.
• W4308602011 cites W2077475587 @default.
• W4308602011 cites W2078736915 @default.
• W4308602011 cites W2082705938 @default.
• W4308602011 cites W2085822586 @default.
• W4308602011 cites W2093116261 @default.
• W4308602011 cites W2093820201 @default.
• W4308602011 cites W2094441996 @default.
• W4308602011 cites W2095001632 @default.
• W4308602011 cites W2105318758 @default.
• W4308602011 cites W2109553965 @default.
• W4308602011 cites W2113140112 @default.
• W4308602011 cites W2118278569 @default.
• W4308602011 cites W2126176617 @default.
• W4308602011 cites W2127336290 @default.
• W4308602011 cites W2134732424 @default.
• W4308602011 cites W2134967712 @default.
• W4308602011 cites W2147421370 @default.
• W4308602011 cites W2151512266 @default.
• W4308602011 cites W2154173380 @default.
• W4308602011 cites W2160592148 @default.
• W4308602011 cites W2171933050 @default.
• W4308602011 cites W2181614096 @default.
• W4308602011 cites W2253523184 @default.
• W4308602011 cites W2313297207 @default.
• W4308602011 cites W2325030053 @default.
• W4308602011 cites W2401866878 @default.
• W4308602011 cites W2548771151 @default.
• W4308602011 cites W2552087272 @default.
• W4308602011 cites W2604923141 @default.
• W4308602011 cites W2613818341 @default.
• W4308602011 cites W2790062274 @default.
• W4308602011 cites W2791584627 @default.
• W4308602011 cites W2803438742 @default.
• W4308602011 cites W2872868611 @default.
• W4308602011 cites W2883204749 @default.
• W4308602011 cites W2884507548 @default.
• W4308602011 cites W2887015935 @default.
• W4308602011 cites W2889871150 @default.
• W4308602011 cites W2897403844 @default.
• W4308602011 cites W2902116711 @default.
• W4308602011 cites W2903950532 @default.
• W4308602011 cites W2913624737 @default.
• W4308602011 cites W2914924006 @default.
• W4308602011 cites W2915982620 @default.
• W4308602011 cites W2916666929 @default.
• W4308602011 cites W2923765758 @default.
• W4308602011 cites W2947990299 @default.
• W4308602011 cites W2949025566 @default.
• W4308602011 cites W2950146576 @default.
• W4308602011 cites W2950437591 @default.
• W4308602011 cites W2952900057 @default.
• W4308602011 cites W2954044982 @default.

• next