{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2022,3,29]],"date-time":"2022-03-29T05:40:59Z","timestamp":1648532459220},"reference-count":7,"publisher":"Springer Science and Business Media LLC","issue":"S1","license":[{"start":{"date-parts":[[2012,5,1]],"date-time":"2012-05-01T00:00:00Z","timestamp":1335830400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Cheminform"],"published-print":{"date-parts":[[2012,12]]},"DOI":"10.1186\/1758-2946-4-s1-p12","type":"journal-article","created":{"date-parts":[[2012,5,1]],"date-time":"2012-05-01T10:15:37Z","timestamp":1335867337000},"source":"Crossref","is-referenced-by-count":1,"title":["Potency-directed similarity searching using support vector machines"],"prefix":"10.1186","volume":"4","author":[{"given":"Kathrin","family":"Heikamp","sequence":"first","affiliation":[]},{"given":"Anne M","family":"Wassermann","sequence":"additional","affiliation":[]},{"given":"J\u00fcrgen","family":"Bajorath","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2012,5,1]]},"reference":[{"key":"283_CR1","first-page":"73","volume-title":"Methods and Principles in Medicinal Chemistry. Virtual Screening. Principles, Challenges, and Practical Guidelines","author":"D Stumpfe","year":"2011","unstructured":"Stumpfe D, Bajorath J: Applied virtual screening: strategies, recommendations, and caveats. Methods and Principles in Medicinal Chemistry. Virtual Screening. Principles, Challenges, and Practical Guidelines. Edited by: Sotriffer C. 2011, Weinheim: Wiley-VCH, 73-103."},{"key":"283_CR2","doi-asserted-by":"publisher","first-page":"225","DOI":"10.1016\/j.drudis.2007.01.011","volume":"12","author":"H Eckert","year":"2007","unstructured":"Eckert H, Bajorath J: Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches. Drug Discov Today. 2007, 12: 225-233. 10.1016\/j.drudis.2007.01.011.","journal-title":"Drug Discov Today"},{"key":"283_CR3","doi-asserted-by":"publisher","first-page":"205","DOI":"10.1021\/ci900419k","volume":"50","author":"H Geppert","year":"2010","unstructured":"Geppert H, Vogt M, Bajorath J: Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation. J Chem Inf Model. 2010, 50: 205-216. 10.1021\/ci900419k.","journal-title":"J Chem Inf Model"},{"key":"283_CR4","doi-asserted-by":"publisher","first-page":"549","DOI":"10.1021\/ci049641u","volume":"45","author":"RN Jorissen","year":"2005","unstructured":"Jorissen RN, Gilson MK: Virtual screening of molecular databases using a support vector machine. J Chem Inf Model. 2005, 45: 549-561. 10.1021\/ci049641u.","journal-title":"J Chem Inf Model"},{"key":"283_CR5","doi-asserted-by":"publisher","first-page":"582","DOI":"10.1021\/ci800441c","volume":"49","author":"AM Wassermann","year":"2009","unstructured":"Wassermann AM, Geppert H, Bajorath J: Searching for target-selective compounds using different combinations of multiclass support vector machine ranking methods, kernel functions, and fingerprint descriptors. J Chem Inf Model. 2009, 49: 582-592. 10.1021\/ci800441c.","journal-title":"J Chem Inf Model"},{"key":"283_CR6","doi-asserted-by":"publisher","first-page":"716","DOI":"10.1021\/ci9003865","volume":"50","author":"S Agarwal","year":"2010","unstructured":"Agarwal S, Dugar D, Sengupta S: Ranking chemical structures for drug discovery: a new machine learning approach. J Chem Inf Model. 2010, 50: 716-731. 10.1021\/ci9003865.","journal-title":"J Chem Inf Model"},{"key":"283_CR7","doi-asserted-by":"publisher","first-page":"30","DOI":"10.1111\/j.1747-0285.2010.01059.x","volume":"77","author":"AM Wassermann","year":"2011","unstructured":"Wassermann AM, Heikamp K, Bajorath J: Potency-directed similarity searching using support vector machines. Chem Biol Drug Des. 2011, 77: 30-38. 10.1111\/j.1747-0285.2010.01059.x.","journal-title":"Chem Biol Drug Des"}],"container-title":["Journal of Cheminformatics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1186\/1758-2946-4-S1-P12.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1186\/1758-2946-4-S1-P12\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1186\/1758-2946-4-S1-P12.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,6,24]],"date-time":"2019-06-24T14:26:27Z","timestamp":1561386387000},"score":1,"resource":{"primary":{"URL":"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/1758-2946-4-S1-P12"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,5,1]]},"references-count":7,"journal-issue":{"issue":"S1","published-print":{"date-parts":[[2012,12]]}},"alternative-id":["283"],"URL":"https:\/\/doi.org\/10.1186\/1758-2946-4-s1-p12","relation":{},"ISSN":["1758-2946"],"issn-type":[{"value":"1758-2946","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,5,1]]},"article-number":"P12"}}