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 |
| ISSN: | 1873-4243 |
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| DOI: | 10.1016/j.jmgm.2026.109428 |
