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机器学习驱动的计算药物重新定位用于识别新的针对癌症的氨酸抑制剂

Neelima Neelima1, Hussein Elrewey2, Sneha Smarakan1

  • 1Institute of Cancer Therapeutics, School of Pharmacy, Optometry and Medical Sciences, University of Bradford, Bradford BD71DP, UK.

Bioorganic & medicinal chemistry
|February 14, 2026
PubMed
概括

机器学习识别了现有的药物作为潜在的抗癌药物,向图布林. 这种药物重新定位的方法产生了对癌细胞具有显著的抗增殖活性的奥梅普拉和波多菲洛克斯.

关键词:
抗癌剂是一种抗癌剂.科尔奇辛的结合部位药物重新定位是药物重新定位.机器学习 (AutoQSAR) 是一个分子动力学分子动力学突素的聚合聚合.

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