{"title":"Cross-Validated R2 Guided Region Selection for CoMFA Studies","authors":"A. Tropsha, S. Cho","doi":"10.1007/0-306-46858-1_4","DOIUrl":"https://doi.org/10.1007/0-306-46858-1_4","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"1 1","pages":"57-69"},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46858-1_4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51337570","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":"Alternative Partial Least-Squares (PLS) Algorithms","authors":"F. Lindgren, S. Rännar","doi":"10.1007/0-306-46858-1_7","DOIUrl":"https://doi.org/10.1007/0-306-46858-1_7","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"12 1","pages":"105-113"},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46858-1_7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51337832","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":"Novel software tools for chemical diversity","authors":"R. S. Pearlman, Karl M. Smith","doi":"10.1023/A:1027232610247","DOIUrl":"https://doi.org/10.1023/A:1027232610247","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"9 1","pages":"339-353"},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1027232610247","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57289120","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 : 1998-01-01DOI: 10.1007/0-306-46858-1_12
B. Silverman, D. Platt, M. Pitman, I. Rigoutsos
{"title":"Comparative molecular moment analysis (CoMMA)","authors":"B. Silverman, D. Platt, M. Pitman, I. Rigoutsos","doi":"10.1007/0-306-46858-1_12","DOIUrl":"https://doi.org/10.1007/0-306-46858-1_12","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"18 1","pages":"183-196"},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46858-1_12","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51337291","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":"List of CoMFA references, 1997","authors":"K. Kim","doi":"10.1023/A:1017067029328","DOIUrl":"https://doi.org/10.1023/A:1017067029328","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"24 1","pages":"334-338"},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1017067029328","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57089219","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 : 1998-01-01DOI: 10.1007/0-306-46858-1_14
T. Langer
{"title":"Molecular Similarity Characterization Using CoMFA","authors":"T. Langer","doi":"10.1007/0-306-46858-1_14","DOIUrl":"https://doi.org/10.1007/0-306-46858-1_14","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"12 1","pages":"215-231"},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46858-1_14","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51337772","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}
R. Kroemer, Peter Hecht, Stefan M Guessregen, K. Liedl
{"title":"Improving the Predictive Quality of CoMFA Models","authors":"R. Kroemer, Peter Hecht, Stefan M Guessregen, K. Liedl","doi":"10.1007/0-306-46858-1_3","DOIUrl":"https://doi.org/10.1007/0-306-46858-1_3","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"12 1","pages":"41-56"},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46858-1_3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51337511","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":"List of CoMFA references, 1993-1996","authors":"K. Kim","doi":"10.1023/A:1017015028419","DOIUrl":"https://doi.org/10.1023/A:1017015028419","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"12 1","pages":"317-333"},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1017015028419","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57086588","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":"GOLPE-Guided Region Selection","authors":"G. Cruciani, S. Clementi, M. Pastor","doi":"10.1007/0-306-46858-1_5","DOIUrl":"https://doi.org/10.1007/0-306-46858-1_5","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"12 1","pages":"71-86"},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46858-1_5","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51337604","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":"Receptor Surface Models","authors":"M. Hahn, David Rogers","doi":"10.1007/0-306-46858-1_8","DOIUrl":"https://doi.org/10.1007/0-306-46858-1_8","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"1 1","pages":"117-133"},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46858-1_8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51338001","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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