Quantitative Structure-Activity Relationship Evaluation of MDA-MB-231 Cell Anti-Proliferative Leads.
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ABSTRACT:
SUBMITTER: Gandhi A
PROVIDER: S-EPMC8401583 | biostudies-literature | 2021 Aug
REPOSITORIES: biostudies-literature
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Quantitative Structure-Activity Relationship Evaluation of MDA-MB-231 Cell Anti-Proliferative Leads.
Gandhi Ajaykumar A Masand Vijay V Zaki Magdi E A MEA Al-Hussain Sami A SA Ghorbal Anis Ben AB Chapolikar Archana A
Molecules (Basel, Switzerland) 20210807 16
In the present endeavor, for the dataset of 219 in vitro MDA-MB-231 TNBC cell antagonists, a (QSAR) quantitative structure-activity relationships model has been carried out. The quantitative and explicative assessments were performed to identify inconspicuous yet pre-eminent structural features that govern the anti-tumor activity of these compounds. GA-MLR (genetic algorithm multi-linear regression) methodology was employed to build statistically robust and highly predictive multiple QSAR models ...[more]
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