Exploration of good and bad structural fingerprints for inhibition of indoleamine-2,3-dioxygenase enzyme in cancer immunotherapy using Monte Carlo optimization and Bayesian classification QSAR modeling.

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作者： Sanskar,Jain ^[1] ; Bhagwati,Bhardwaj ^[1] ; Sk Abdul,Amin ^[2] ; Nilanjan,Adhikari ^[2] ; Tarun,Jha ^[2] ; Shovanlal,Gayen ^[1]

作者单位： Laboratory of Drug Design and Discovery, Department of Pharmaceutical Sciences, Dr. HarisinghGour University, Sagar, Madhya Pradesh, India. ^[1] Natural Science Laboratory, Department of Pharmaceutical Technology, Division of Medicinal and Pharmaceutical Chemistry, Jadavpur University, Kolkata, West Bengal, India. ^[2]

关键词 Bayesian classification model IDO 1 inhibitors Indoleamine-2,3-dioxygenase Monte Carlo Optimization classification QSAR structural fingerprint

主题词贝叶斯定理(Bayes Theorem);酶抑制剂(Enzyme Inhibitors);人类(Humans);免疫疗法(Immunotherapy);吲哚胺-吡咯2,3-双加氧酶(Indoleamine-Pyrrole 2,3,-Dioxygenase);肿瘤(Neoplasms);量化构效关系(Quantitative Structure-Activity Relationship)

DOI 10.1080/07391102.2019.1615000

PMID 31057090

发布时间 2021-06-18

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