Cheminformatics analysis, machine learning-based QSAR model building and virtual screening: identification of dual ROCK1 and TGFBR1 inhibitors for the treatment of cancer metastasis.
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| Title: | Cheminformatics analysis, machine learning-based QSAR model building and virtual screening: identification of dual ROCK1 and TGFBR1 inhibitors for the treatment of cancer metastasis. |
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| Authors: | Kalita B; Department of Bioinformatics, School of Life Sciences, Pondicherry University, Kalapet, Pondicherry, 605014, India., Coumar MS; Department of Bioinformatics, School of Life Sciences, Pondicherry University, Kalapet, Pondicherry, 605014, India. Electronic address: mohane@bicpu.edu.in. |
| Source: | Journal of molecular graphics & modelling [J Mol Graph Model] 2026 Jul; Vol. 146, pp. 109428. Date of Electronic Publication: 2026 Apr 28. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Elsevier Science, Inc Country of Publication: United States NLM ID: 9716237 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-4243 (Electronic) Linking ISSN: 10933263 NLM ISO Abbreviation: J Mol Graph Model Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 42081840 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Cheminformatics analysis, machine learning-based QSAR model building and virtual screening: identification of dual ROCK1 and TGFBR1 inhibitors for the treatment of cancer metastasis. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Kalita+B%22">Kalita B</searchLink>; Department of Bioinformatics, School of Life Sciences, Pondicherry University, Kalapet, Pondicherry, 605014, India.<br /><searchLink fieldCode="AU" term="%22Coumar+MS%22">Coumar MS</searchLink>; Department of Bioinformatics, School of Life Sciences, Pondicherry University, Kalapet, Pondicherry, 605014, India. Electronic address: mohane@bicpu.edu.in. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%229716237%22">Journal of molecular graphics & modelling</searchLink> [J Mol Graph Model] 2026 Jul; Vol. 146, pp. 109428. <i>Date of Electronic Publication: </i>2026 Apr 28. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Elsevier+Science%2C+Inc%22">Elsevier Science, Inc </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>9716237 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1873-4243 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2210933263%22">10933263 </searchLink><i>NLM ISO Abbreviation: </i>J Mol Graph Model <i>Subsets: </i>MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=42081840 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.jmgm.2026.109428 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 109428 Titles: – TitleFull: Cheminformatics analysis, machine learning-based QSAR model building and virtual screening: identification of dual ROCK1 and TGFBR1 inhibitors for the treatment of cancer metastasis. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Kalita B – PersonEntity: Name: NameFull: Coumar MS IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 07 Text: 2026 Jul Type: published Y: 2026 Identifiers: – Type: issn-electronic Value: 1873-4243 Numbering: – Type: volume Value: 146 Titles: – TitleFull: Journal of molecular graphics & modelling Type: main |
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