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Article

Prediction of KRASG12C inhibitors using conjoint fingerprint and machine learning-based QSAR models.

Journal of molecular graphics & modelling - 1 Jul 2023

Srisongkram Tarapong, Khamtang Patcharapa, Weerapreeyakul Natthida

Abstract excerpt

Kirsten rat sarcoma virus G12C (KRASG12C) is the major protein mutation associated with non-small cell lung cancer (NSCLC) severity. Inhibiting KRASG12C is therefore one of the key therapeutic strategies for NSCLC patients. In this paper, a cost-effective data driven drug design employing machine learning-based quantitative structure-activity relationship (QSAR) analysis was built for predicting ligand affinities...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Source

Identifiers

PMID: 37058997
DOI: 10.1016/j.jmgm.2023.108466

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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