Quasi-QSAR for predicting the cell viability of human lung and skin cells exposed to different metal oxide nanomaterials
DC Field | Value | Language |
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dc.contributor.author | Choi, Jang-Sik | - |
dc.contributor.author | Trinh, Tung X. | - |
dc.contributor.author | Yoon, Tae-Hyun | - |
dc.contributor.author | Kim, Jongwoon | - |
dc.contributor.author | Byun, Hyung-Gi | - |
dc.date.accessioned | 2022-07-10T09:42:48Z | - |
dc.date.available | 2022-07-10T09:42:48Z | - |
dc.date.created | 2021-05-12 | - |
dc.date.issued | 2019-02 | - |
dc.identifier.issn | 0045-6535 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/148354 | - |
dc.description.abstract | A quasi-QSAR model was developed to predict the cell viability of human lung (BEAS-2B) and skin (HaCaT) cells exposed to 21 types of metal oxide nanomaterials. A wide range of toxicity datasets obtained from the S2NANO (www.s2nano.org ) database was used. The data of descriptors representing the physicochemical properties and experimental conditions were coded to quasi-SMILES. In particular, hierarchical cluster analysis (HCA) and min-max normalization method were respectively used in assigning alphanumeric codes for numerical descriptors (e.g., core size, hydrodynamic size, surface charge, and dose) and then quasi-QSAR model performances for both methods were compared. The quasi-Q$AR models were developed using CORAL software (www.insilico.euicoral). Quasi-QSAR model built using quasi-SMILES generated by means of HCA showed better performance than the min-max normalization method. The model showed satisfactory statistical results (R-adj(2) for the training dataset: 0.71-0.73; R-adj(2) for the calibration dataset: 0.74-0.82; and R-adj(2) for the validation dataset: 0.70-0.76). | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | - |
dc.title | Quasi-QSAR for predicting the cell viability of human lung and skin cells exposed to different metal oxide nanomaterials | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Yoon, Tae-Hyun | - |
dc.identifier.doi | 10.1016/j.chemosphere.2018.11.014 | - |
dc.identifier.scopusid | 2-s2.0-85056157124 | - |
dc.identifier.wosid | 000456223500028 | - |
dc.identifier.bibliographicCitation | CHEMOSPHERE, v.217, pp.243 - 249 | - |
dc.relation.isPartOf | CHEMOSPHERE | - |
dc.citation.title | CHEMOSPHERE | - |
dc.citation.volume | 217 | - |
dc.citation.startPage | 243 | - |
dc.citation.endPage | 249 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Environmental Sciences & Ecology | - |
dc.relation.journalWebOfScienceCategory | Environmental Sciences | - |
dc.subject.keywordPlus | ECLECTIC DATA | - |
dc.subject.keywordPlus | OPTIMAL DESCRIPTOR | - |
dc.subject.keywordPlus | MATHEMATICAL FUNCTION | - |
dc.subject.keywordPlus | MEMBRANE DAMAGE | - |
dc.subject.keywordPlus | IN-VITRO | - |
dc.subject.keywordPlus | QUANTITATIVE STRUCTURE | - |
dc.subject.keywordPlus | NANO-QSAR | - |
dc.subject.keywordPlus | NANOPARTICLES | - |
dc.subject.keywordPlus | MODEL | - |
dc.subject.keywordPlus | SMILES | - |
dc.subject.keywordAuthor | metal oxide nanomaterial | - |
dc.subject.keywordAuthor | BEAS-2B | - |
dc.subject.keywordAuthor | HaCaT | - |
dc.subject.keywordAuthor | Cell viability | - |
dc.subject.keywordAuthor | Quasi-QSAR | - |
dc.subject.keywordAuthor | Quasi-SMILES | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S0045653518321118?via%3Dihub | - |
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