HQSAR相关论文
JNK1 is a drug target for the treatment of type 2 diabetes,and it plays a key mediator role in metabolic disorders.In th......
Prediction Binding Affinities to Awl hydrocarbon Receptor for Polychlorinated Dibenzofurans using Ho
Polychlorinated dibenzofurans (PCDFs) are industrial compounds or byproducts that are widely distributed in the environm......
In this study, Co MFA, Co MSIA and HQSAR techniques were used to study the important characteristic activities of thieno......
多溴联苯醚(polybrominated diphenyl ethers,PBDEs)是在环境中广泛存在,严重危害人类和动植物健康,已成为环境科学研究热点的一类......
In this study,CoMFA,CoMSIA and HQSAR techniques were used to study the important characteristic activities of thieno[2,3......
采用分子全息定量构效关系(HQSAR)方法,研究了34个HIV-1逆转录酶抑制剂S-DABOs类化合物的结构与活性之间的关系.讨论了分子碎片大......
QSAR and Pharmacophore Studies of Thiazolidine-4-carboxylic Acid Derivatives as Novel Influenza Neur
本文通过对荣华二采区10...
应用分子全息定量构效关系（HQSAR）分析方法，以5，6-二氢-（9日）-吡唑[3，4-c]-1，2，4-三唑[4，3-a]吡啶类抑制剂为研究对象，建立了一组对磷酸二酯酶......
针对56个环氧酮肽衍生物,分别采用比较分子场分析(comparative molecular field analysis,CoMFA)、比较分子相似性形状指数分析(co......
用CoMFA和HQSAR两种QSAR方法研究了50个乙内酰脲类分子的定量构效关系.本研究从构象搜索所得的低能结构出发构建化合物分子的构象,......
QSAR and Pharmacophore Studies of Thiazolidine-4-carboxylic Acid Derivatives as Novel Influenza Neur
In order to understand the chemical-biological interactions governing their activities toward neuraminidase (NA), QSAR m......
酮内酯作为第3代大环内酯类抗生素,不仅对耐药菌有良好的活性,而且克服了诱导耐药性,成为了大环内酯类药物的研究热点。针对6-O-芳......
定量结构-活性相关(Quantitative Structure-Activity Relationship)简称QSAR。随着计算机技术成为对环境中日益增多的有机化学品......
在化学计量学的研究中,常需要通过建立相关的数学模型来分析物质。因此,诞生了多种分析化学的建模方法。然而,传统的单模型建模方......
持久性有机污染物(persistent organic pollutants,POPs)分布范围越来越广,对人类和动植物构成的威胁也越来越大。所以对POPs进行......
为研究3-[1-(苄基)-4哌啶基]四氢苯丙酮类衍生物的AChE抑制活性与其结构之间的定量关系,并揭示它们与受体蛋白AChE的相互作用,从而......
多肽类药物在治疗心血管疾病、癌症、内分泌类疾病、代谢类疾病、血液病、传染性疾病和疼痛缓解等众多方面都有显著的疗效和广泛的......
