Pub Date : 2000-12-01DOI: 10.1007/0-306-46883-2_12
T. Marrone, B. Luty, P. W. Rose
{"title":"Discovering high-affinity ligands from the computationally predicted structures and affinities of small molecules bound to a target: A virtual screening approach","authors":"T. Marrone, B. Luty, P. W. Rose","doi":"10.1007/0-306-46883-2_12","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_12","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"209-230"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46883-2_12","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51338806","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}
Pub Date : 2000-12-01DOI: 10.1007/0-306-46883-2_13
H. Briem, U. Lessel
{"title":"In vitro and in silico affinity fingerprints: Finding similarities beyond structural classes","authors":"H. Briem, U. Lessel","doi":"10.1007/0-306-46883-2_13","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_13","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"231-244"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46883-2_13","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51338917","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}
{"title":"The applicability of computational chemistry in the evaluation and prediction of drug transport properties","authors":"U. Norinder, T. Österberg","doi":"10.1023/A:1008718204115","DOIUrl":"https://doi.org/10.1023/A:1008718204115","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"19 1","pages":"1-18"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1008718204115","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57419683","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}
{"title":"Calculating partition coefficient by atom-additive method","authors":"Renxiao Wang, Yingduo Gao, L. Lai","doi":"10.1023/A:1008763405023","DOIUrl":"https://doi.org/10.1023/A:1008763405023","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"35 1","pages":"47-66"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1008763405023","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57443755","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}
{"title":"EVA/PLS versus autocorrelation/neural network estimation of partition coefficients","authors":"J. Devillers","doi":"10.1023/A:1008771606841","DOIUrl":"https://doi.org/10.1023/A:1008771606841","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"19 1","pages":"117-131"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1008771606841","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57446996","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}
{"title":"Lipophilicity in trans-bilayer transport and subcellular pharmacokinetics","authors":"S. Balaz","doi":"10.1023/A:1008775707749","DOIUrl":"https://doi.org/10.1023/A:1008775707749","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"19 1","pages":"157-177"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1008775707749","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57449138","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}
{"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}
{"title":"Estimating log P with atom/fragments and water solubility with log P","authors":"W. Meylan, P. Howard","doi":"10.1023/A:1008715521862","DOIUrl":"https://doi.org/10.1023/A:1008715521862","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"19 1","pages":"67-84"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1008715521862","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57418805","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}
{"title":"The influence of lipophilicity on the pharmacokinetic behavior of drugs: Concepts and examples","authors":"B. Testa, P. Crivori, M. Reist, P. Carrupt","doi":"10.1023/A:1008741731244","DOIUrl":"https://doi.org/10.1023/A:1008741731244","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"19 1","pages":"179-211"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1008741731244","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57432563","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}
{"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}
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