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Exploring different classification-dependent QSAR modelling strategies for HDAC3 inhibitors in search of meaningful structural contributors.

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第一作者： T,Jha

第一单位： Natural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India.

作者： T,Jha ^[1] ; R,Jana ^[1] ; S,Banerjee ^[1] ; S K,Baidya ^[1] ; S A,Amin ^[2] ; S,Gayen ^[2] ; B,Ghosh ^[3] ; N,Adhikari ^[1]

作者单位： Natural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India. ^[1] Laboratory of Drug Design and Discovery, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India. ^[2] Epigenetic Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science-Pilani, Hyderabad, India. ^[3]

关键词 Bayesian classification HDAC3 inhibitor LDA SARpy molecular docking recursive partitioning

医学主题词量化构效关系(Quantitative Structure-Activity Relationship);组蛋白脱乙酰基酶类(Histone Deacetylases);组蛋白脱乙酰基酶抑制剂(Histone Deacetylase Inhibitors);贝叶斯定理(Bayes Theorem);分子动力学模拟(Molecular Dynamics Simulation);判别分析(Discriminant Analysis);分子结构(Molecular Structure)

DOI 10.1080/1062936X.2024.2350504

PMID 38757181

发布时间 2024-06-05

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准确一般字义偏差语意偏离译文作用小提交