{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,5,30]],"date-time":"2024-05-30T11:12:10Z","timestamp":1717067530804},"reference-count":23,"publisher":"Springer Science and Business Media LLC","issue":"8","license":[{"start":{"date-parts":[[2009,6,27]],"date-time":"2009-06-27T00:00:00Z","timestamp":1246060800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2009,8]]},"DOI":"10.1007\/s10822-009-9291-2","type":"journal-article","created":{"date-parts":[[2009,6,26]],"date-time":"2009-06-26T13:46:03Z","timestamp":1246023963000},"page":"593-602","source":"Crossref","is-referenced-by-count":26,"title":["Second-generation de novo design: a view from a medicinal chemist perspective"],"prefix":"10.1007","volume":"23","author":[{"given":"Andrea","family":"Zaliani","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Krisztina","family":"Boda","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Thomas","family":"Seidel","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Achim","family":"Herwig","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Christof H.","family":"Schwab","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Johann","family":"Gasteiger","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Holger","family":"Clau\u00dfen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Christian","family":"Lemmen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"J\u00f6rg","family":"Degen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Juri","family":"P\u00e4rn","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Matthias","family":"Rarey","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2009,6,27]]},"reference":[{"key":"9291_CR1","doi-asserted-by":"crossref","first-page":"854","DOI":"10.1002\/cmdc.200500102","volume":"1","author":"J Degen","year":"2006","unstructured":"Degen J, Rarey M (2006) Chem Med Chem 1:854","journal-title":"Chem Med Chem"},{"key":"9291_CR2","doi-asserted-by":"crossref","first-page":"726","DOI":"10.1021\/jm061277y","volume":"50","author":"MJ Hartshorn","year":"2007","unstructured":"Hartshorn MJ, Verdonk ML, Chessari G, Brewerton SC, Mooij WTM, Mortenson PN, Murray CW (2007) J Med Chem 50:726","journal-title":"J Med Chem"},{"key":"9291_CR3","author":"Y Chen","year":"2009","unstructured":"Chen Y, Shoichet BK (2009) Nat Chem Biol. doi: 10.1038\/nchembio.155 Published Online 22-03-09","journal-title":"Nat Chem Biol"},{"key":"9291_CR4","doi-asserted-by":"crossref","first-page":"7455","DOI":"10.1073\/pnas.0813029106","volume":"106","author":"DG Teotico","year":"2009","unstructured":"Teotico DG, Babaoglu K, Rocklin GJ, Ferreira RS, Giannetti AM, Shoichet BK (2009) Proc Natl Acad Sci 106:7455\u20137460","journal-title":"Proc Natl Acad Sci"},{"key":"9291_CR5","doi-asserted-by":"crossref","first-page":"697","DOI":"10.1016\/0898-5529(90)90168-8","volume":"3","author":"JB Moon","year":"1990","unstructured":"Moon JB, Howe WJ (1990) Tetrahedron Comput Methodol 3:697","journal-title":"Tetrahedron Comput Methodol"},{"key":"9291_CR6","unstructured":"Wang JW, Watson IA, Bell MA, Webster YW, Higgs RE, Vieth M (2007) 233rd ACS National Meeting, Chicago, USA, COMP-035"},{"key":"9291_CR7","doi-asserted-by":"crossref","first-page":"497","DOI":"10.1023\/A:1011144622059","volume":"15","author":"M Rarey","year":"2001","unstructured":"Rarey M, Stahl M (2001) J Comput Aided Mol Des 15:497","journal-title":"J Comput Aided Mol Des"},{"key":"9291_CR8","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1007\/s10822-007-9121-3","volume":"21","author":"J P\u00e4rn","year":"2007","unstructured":"P\u00e4rn J, Degen J, Rarey M (2007) J Comput Aided Mol Des 21:327","journal-title":"J Comput Aided Mol Des"},{"key":"9291_CR9","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1007\/s10822-006-9099-2","volume":"21","author":"K Boda","year":"2006","unstructured":"Boda K, Seidel T, Gasteiger J (2006) J Comput Aided Mol Des 21:311","journal-title":"J Comput Aided Mol Des"},{"key":"9291_CR10","unstructured":"The software package SYLVIA is available from Molecular Networks GmbH, Erlangen, Germany ( http:\/\/www.molecular-networks.com )"},{"key":"9291_CR11","unstructured":"Symyx technologies Inc., http:\/\/www.symyx.com\/products\/databases\/bioactivity\/mddr\/index.jsp . Accessed May 2009"},{"key":"9291_CR12","doi-asserted-by":"crossref","first-page":"1000","DOI":"10.1021\/ci00020a039","volume":"34","author":"J Sadowski","year":"1994","unstructured":"Sadowski J, Gasteiger J, Klebe G (1994) J Chem Inf Comput Sci 34:1000","journal-title":"J Chem Inf Comput Sci"},{"key":"9291_CR13","unstructured":"The 3D structure generator CORINA is available from Molecular Networks GmbH, Erlangen, Germany ( http:\/\/www.molecular-networks.com )"},{"key":"9291_CR14","doi-asserted-by":"crossref","first-page":"390","DOI":"10.1021\/ci060094h","volume":"47","author":"P Maass","year":"2007","unstructured":"Maass P, Schulz-Gasch T, Stahl T, Rarey M (2007) J Chem Inf Model 47:390","journal-title":"J Chem Inf Model"},{"key":"9291_CR15","doi-asserted-by":"crossref","first-page":"1503","DOI":"10.1002\/cmdc.200800178","volume":"3","author":"J Degen","year":"2008","unstructured":"Degen J, Wegscheid-Gerlach C, Zaliani A, Rarey M (2008) Chem Med Chem 3:1503","journal-title":"Chem Med Chem"},{"key":"9291_CR16","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(00)00129-0","volume":"46","author":"CA Lipinski","year":"2001","unstructured":"Lipinski CA, Lombardo F, Dominy BW, Feeney PJ (2001) Adv Drug Deliv Rev 46:3","journal-title":"Adv Drug Deliv Rev"},{"key":"9291_CR17","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1023\/A:1016399411208","volume":"16","author":"SA Hindle","year":"2002","unstructured":"Hindle SA, Rarey M, Buning C, Lengauer T (2002) J Comput Aided Mol Des 16:129","journal-title":"J Comput Aided Mol Des"},{"key":"9291_CR18","unstructured":"Molecular Networks GmbH, http:\/\/www.molecular-networks.com\/software\/sylvia\/index.html . Accessed May 2009"},{"key":"9291_CR19","doi-asserted-by":"crossref","first-page":"1599","DOI":"10.1210\/me.2004-0050","volume":"18","author":"A Hillisch","year":"2004","unstructured":"Hillisch A, Peters O, Kosemund D, Muller G, Walter A, Schneider B, Reddersen G, Elger W, Fritzemeier K-H (2004) Mol Endocrinol 18:1599","journal-title":"Mol Endocrinol"},{"key":"9291_CR20","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1002\/ddr.20172","volume":"68","author":"AM Doweyko","year":"2007","unstructured":"Doweyko AM (2007) Drug Dev Res 68:95","journal-title":"Drug Dev Res"},{"key":"9291_CR21","doi-asserted-by":"crossref","first-page":"2615","DOI":"10.1021\/jm020017n","volume":"45","author":"DF Veber","year":"2002","unstructured":"Veber DF, Johnson SR, Cheng HY, Smith BR, Ward KW, Kopple KD (2002) J Med Chem 45:2615","journal-title":"J Med Chem"},{"key":"9291_CR22","doi-asserted-by":"crossref","first-page":"681","DOI":"10.2174\/1389557043403765","volume":"4","author":"JC Baber","year":"2004","unstructured":"Baber JC, Feher M (2004) Mini Rev Med Chem 4:681\u2013692","journal-title":"Mini Rev Med Chem"},{"key":"9291_CR23","doi-asserted-by":"crossref","first-page":"1237","DOI":"10.1021\/ci0501387","volume":"45","author":"TK Allu","year":"2005","unstructured":"Allu TK, Oprea TI (2005) J Chem Inf Model 45:1237\u20131243","journal-title":"J Chem Inf Model"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-009-9291-2.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10822-009-9291-2\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-009-9291-2","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,31]],"date-time":"2019-05-31T01:23:01Z","timestamp":1559265781000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-009-9291-2"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2009,6,27]]},"references-count":23,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2009,8]]}},"alternative-id":["9291"],"URL":"https:\/\/doi.org\/10.1007\/s10822-009-9291-2","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2009,6,27]]}}}