Matches in SemOpenAlex for { <https://semopenalex.org/work/W4283592760> ?p ?o ?g. }
Showing items 1 to 68 of
68
with 100 items per page.
- W4283592760 abstract "Abstract Chemical graph theory is one of the important fields in mathematical chemistry which provides a useful tool called topological indices which transforms chemical structure of a molecule into a numerical value. Topological indices are used to investigate physicochemical properties, pharmaco‐kinetic properties, biological activity in quantitative structure property relationship (QSPR) and quantitative structure–activity relationship. The most life‐threatening disease the world facing is COVID‐19 and its prominent variants like alpha, beta, delta and omicron variants. The delta and omicron variants are deemed one of the most contagious strains of the SARS‐CoV‐2 virus. Since there is no exact drug for these variants, but researches are been carried out with some existing and new drugs which are effective against delta and omicron variants. Favipiravir, Baricitinib, Fluvoxamine, Nirmatrelvir and Molnupiravir are some of the drugs currently used to treat COVID‐19 omicron variant. In this paper QSPR model is designed to predict some selected physicochemical properties and ADMET properties of the above aforesaid drugs by using some degree‐based indices such as first K Banhatti index, second K Banhatti index, first K hyper Banhatti index, second K hyper Banhatti index, modified first K Banhatti index, modified second K Banhatti index and harmonic K Banhatti index via M‐Polynomial. The relationship analyses for the physicochemical and ADMET properties with the degree‐based indices are done by using the quadratic and cubic regression method respectively. The results obtained can be expanded to correlate several other properties associated with drugability of potential candidates that can further be utilized to construct a disease‐based library of drugs." @default.
- W4283592760 created "2022-06-28" @default.
- W4283592760 creator A5047144781 @default.
- W4283592760 creator A5048881646 @default.
- W4283592760 date "2022-06-27" @default.
- W4283592760 modified "2023-09-27" @default.
- W4283592760 title "ADMET and quantitative structure property relationship analysis of <scp>anti‐Covid</scp> drugs against omicron variant with some degree‐based topological indices" @default.
- W4283592760 cites W1978562244 @default.
- W4283592760 cites W2020799379 @default.
- W4283592760 cites W2065534534 @default.
- W4283592760 cites W2107444107 @default.
- W4283592760 cites W2144950437 @default.
- W4283592760 cites W2318794083 @default.
- W4283592760 cites W2523014675 @default.
- W4283592760 cites W2542316309 @default.
- W4283592760 cites W2560457845 @default.
- W4283592760 cites W2749146328 @default.
- W4283592760 cites W2790434917 @default.
- W4283592760 cites W2889906756 @default.
- W4283592760 cites W2894999269 @default.
- W4283592760 cites W2969856873 @default.
- W4283592760 cites W2980106129 @default.
- W4283592760 cites W3031604826 @default.
- W4283592760 cites W3037422466 @default.
- W4283592760 cites W3116148010 @default.
- W4283592760 cites W3167139849 @default.
- W4283592760 cites W3167522638 @default.
- W4283592760 cites W3169302300 @default.
- W4283592760 cites W3198046167 @default.
- W4283592760 cites W3210113307 @default.
- W4283592760 cites W4313466766 @default.
- W4283592760 doi "https://doi.org/10.1002/qua.26967" @default.
- W4283592760 hasPublicationYear "2022" @default.
- W4283592760 type Work @default.
- W4283592760 citedByCount "3" @default.
- W4283592760 countsByYear W42835927602023 @default.
- W4283592760 crossrefType "journal-article" @default.
- W4283592760 hasAuthorship W4283592760A5047144781 @default.
- W4283592760 hasAuthorship W4283592760A5048881646 @default.
- W4283592760 hasBestOaLocation W42835927601 @default.
- W4283592760 hasConcept C147597530 @default.
- W4283592760 hasConcept C159867001 @default.
- W4283592760 hasConcept C164126121 @default.
- W4283592760 hasConcept C185592680 @default.
- W4283592760 hasConcept C71240020 @default.
- W4283592760 hasConceptScore W4283592760C147597530 @default.
- W4283592760 hasConceptScore W4283592760C159867001 @default.
- W4283592760 hasConceptScore W4283592760C164126121 @default.
- W4283592760 hasConceptScore W4283592760C185592680 @default.
- W4283592760 hasConceptScore W4283592760C71240020 @default.
- W4283592760 hasIssue "20" @default.
- W4283592760 hasLocation W42835927601 @default.
- W4283592760 hasOpenAccess W4283592760 @default.
- W4283592760 hasPrimaryLocation W42835927601 @default.
- W4283592760 hasRelatedWork W2095461750 @default.
- W4283592760 hasRelatedWork W2350907087 @default.
- W4283592760 hasRelatedWork W2364711795 @default.
- W4283592760 hasRelatedWork W2367192629 @default.
- W4283592760 hasRelatedWork W2371553814 @default.
- W4283592760 hasRelatedWork W2376110596 @default.
- W4283592760 hasRelatedWork W2384856022 @default.
- W4283592760 hasRelatedWork W4210426523 @default.
- W4283592760 hasRelatedWork W2184181539 @default.
- W4283592760 hasRelatedWork W2188147464 @default.
- W4283592760 hasVolume "122" @default.
- W4283592760 isParatext "false" @default.
- W4283592760 isRetracted "false" @default.
- W4283592760 workType "article" @default.