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Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"1251","DOI":"10.1093\/bioinformatics\/btp140","volume":"25","author":"Zheng M.","year":"2009","journal-title":"Bioinformatics"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"657","DOI":"10.1002\/cmdc.200800384","volume":"4","author":"Hennemann M.","year":"2009","journal-title":"ChemMedChem"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"1643","DOI":"10.1021\/ci900011g","volume":"49","author":"Kim D. N.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1021\/ml100016x","volume":"1","author":"Rydberg P.","year":"2010","journal-title":"ACS Med. Chem. Lett."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"4062","DOI":"10.1021\/jm991058v","volume":"42","author":"de Groot M. J.","year":"1999","journal-title":"J. Med. 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