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Protoc."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1007\/BF02311772","volume":"23","author":"Abraham M. H.","year":"1987","journal-title":"Chromatographia"},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1002\/qsar.19880070105","volume":"7","author":"Cramer R. D.","year":"1988","journal-title":"Quant. Struct.-Act. Relat."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"18065","DOI":"10.1021\/jp961434c","volume":"100","author":"Pogliani L.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"3827","DOI":"10.1021\/cr0004456","volume":"100","author":"Pogliani L.","year":"2000","journal-title":"Chem. Rev."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"7234","DOI":"10.1021\/jm050567w","volume":"48","author":"Selassie C. D.","year":"2005","journal-title":"J. Med. 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