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机译:通过机器学习模型有效鉴定新型抗胶质瘤铅化合物
UniEVANGELICA Ctr Univ Anapolis LabChem Lab Cheminformat BR-75083515 Anapolis Go Brazil;
Univ Fed Santa Catarina Ctr Ciencias Biol Dept Farmacol LabCanc Lab Farmacol &
Bioquim Canc;
Univ Fed Goias Fac Farm LabMol Lab Mol Modeling &
Drug Design BR-74605510 Goiania Go Brazil;
Univ Fed Rio de Janeiro Inst Quim LSOPB BR-21949900 Rio De Janeiro RJ Brazil;
Univ Fed Santa Catarina Ctr Ciencias Biol Dept Farmacol LabCanc Lab Farmacol &
Bioquim Canc;
Univ Fed Santa Catarina Ctr Ciencias Biol Dept Farmacol LabCanc Lab Farmacol &
Bioquim Canc;
Fundacao Oswaldo Cruz Inst Oswaldo Cruz LaBECFar Lab Bioquim Expt &
Computac Farm BR-21040900;
Fundacao Oswaldo Cruz Inst Oswaldo Cruz LaBECFar Lab Bioquim Expt &
Computac Farm BR-21040900;
Fundacao Oswaldo Cruz Inst Oswaldo Cruz LaBECFar Lab Bioquim Expt &
Computac Farm BR-21040900;
Univ Fed Rio de Janeiro Inst Quim LSOPB BR-21949900 Rio De Janeiro RJ Brazil;
Univ Fed Santa Catarina Ctr Ciencias Biol Dept Farmacol LabCanc Lab Farmacol &
Bioquim Canc;
Univ Fed Goias Fac Farm LabMol Lab Mol Modeling &
Drug Design BR-74605510 Goiania Go Brazil;
Cancer; Glioblastoma; Machine learning; Predictive modeling; Orthotopic glioma model; Thioredoxin reductase;
机译:通过机器学习模型有效鉴定新型抗胶质瘤铅化合物
机译:基于机器学习技术的大规模地球系统模型的高效代理建模方法
机译:使用机器学习,分子对接,动力学模拟的组合和结合自由能计算,鉴定来自咖喱树的有前途的化合物与环氧树脂酶抑制潜力。
机译:机器学习驱动的药物发现:结构-细胞毒性相关性的预测导致潜在的抗白血病化合物的鉴定。
机译:高效且可扩展的培训大型机器学习模型的优化方法
机译:通过激酶抑制剂筛选数据的机器学习分析鉴定靶向MAP4K4的主要抗人巨细胞病毒化合物
机译:来自伪软件的元素代码作为机器学习模型的高效描述符,以探索潜在的无铅卤化物植物