From in silico and machine learning model to validation: discovery of novel amide-functionalized imidazopyridines as PIM-1 kinase inhibitors using an integrated ligand and structure-based hopping approach
从计算机模拟和机器学习模型到验证:利用基于配体和结构的集成跃迁方法发现新型酰胺官能化咪唑并吡啶类化合物作为PIM-1激酶抑制剂
期刊:RSC Advances
影响因子:4.6
doi:10.1039/d6ra00514d
Walhekar, Vinayak; Dhadil, Shubham; Ganeshpurkar, Ankit; Singagari, Srilakshmi; Khadernaick, Ayesha Begum; Muthal, Amol; Shinde, Vaibhav; Mali, Ashwin; Kulkarni, Raghavendra; Kulkarni, Ravindra