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Perspectives in drug discovery and design : PD3最新文献

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Discovering high-affinity ligands from the computationally predicted structures and affinities of small molecules bound to a target: A virtual screening approach 从与目标结合的小分子的计算预测结构和亲和力中发现高亲和力配体:一种虚拟筛选方法
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1007/0-306-46883-2_12
T. Marrone, B. Luty, P. W. Rose
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引用次数: 19
In vitro and in silico affinity fingerprints: Finding similarities beyond structural classes 体外和硅亲和指纹:发现超越结构类的相似性
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1007/0-306-46883-2_13
H. Briem, U. Lessel
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引用次数: 41
The applicability of computational chemistry in the evaluation and prediction of drug transport properties 计算化学在评价和预测药物转运性质中的适用性
Perspectives in drug discovery and design : PD3 Pub Date : 2000-09-01 DOI: 10.1023/A:1008718204115
U. Norinder, T. Österberg
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引用次数: 15
Calculating partition coefficient by atom-additive method 用原子相加法计算配分系数
Perspectives in drug discovery and design : PD3 Pub Date : 2000-09-01 DOI: 10.1023/A:1008763405023
Renxiao Wang, Yingduo Gao, L. Lai
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引用次数: 178
EVA/PLS versus autocorrelation/neural network estimation of partition coefficients EVA/PLS与自相关/神经网络分割系数估计的比较
Perspectives in drug discovery and design : PD3 Pub Date : 2000-09-01 DOI: 10.1023/A:1008771606841
J. Devillers
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引用次数: 5
Lipophilicity in trans-bilayer transport and subcellular pharmacokinetics 跨双分子层运输和亚细胞药代动力学中的亲脂性
Perspectives in drug discovery and design : PD3 Pub Date : 2000-09-01 DOI: 10.1023/A:1008775707749
S. Balaz
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引用次数: 34
Multiple computer-automated structure evaluation model of the plasma protein binding affinity of diverse drugs 多种药物血浆蛋白结合亲和力的多计算机自动结构评价模型
Perspectives in drug discovery and design : PD3 Pub Date : 2000-09-01 DOI: 10.1023/A:1008723723679
R. Saiakhov, Liliana R. Stefan, G. Klopman
{"title":"Multiple computer-automated structure evaluation model of the plasma protein binding affinity of diverse drugs","authors":"R. Saiakhov, Liliana R. Stefan, G. Klopman","doi":"10.1023/A:1008723723679","DOIUrl":"https://doi.org/10.1023/A:1008723723679","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"1 1","pages":"133-155"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1008723723679","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57421968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 62
Estimating log P with atom/fragments and water solubility with log P 用原子/碎片估算logp，用logp估算水溶解度
Perspectives in drug discovery and design : PD3 Pub Date : 2000-09-01 DOI: 10.1023/A:1008715521862
W. Meylan, P. Howard
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引用次数: 99
The influence of lipophilicity on the pharmacokinetic behavior of drugs: Concepts and examples 亲脂性对药物药动学行为的影响:概念和实例
Perspectives in drug discovery and design : PD3 Pub Date : 2000-09-01 DOI: 10.1023/A:1008741731244
B. Testa, P. Crivori, M. Reist, P. Carrupt
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引用次数: 186
ACD/Log P method description ACD/Log P方法说明
Perspectives in drug discovery and design : PD3 Pub Date : 2000-09-01 DOI: 10.1023/A:1008719622770
A. Petrauskas, E. Kolovanov
{"title":"ACD/Log P method description","authors":"A. Petrauskas, E. Kolovanov","doi":"10.1023/A:1008719622770","DOIUrl":"https://doi.org/10.1023/A:1008719622770","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"15 1","pages":"99-116"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1008719622770","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57420212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 104
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