{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,1,20]],"date-time":"2024-01-20T18:40:07Z","timestamp":1705776007167},"reference-count":21,"publisher":"Springer Science and Business Media LLC","issue":"7-9","license":[{"start":{"date-parts":[[2004,7,1]],"date-time":"2004-07-01T00:00:00Z","timestamp":1088640000000},"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":[[2004,7]]},"DOI":"10.1007\/s10822-004-5319-9","type":"journal-article","created":{"date-parts":[[2005,1,19]],"date-time":"2005-01-19T13:29:37Z","timestamp":1106141377000},"page":"475-482","source":"Crossref","is-referenced-by-count":18,"title":["Locally Linear Embedding for dimensionality reduction in QSAR"],"prefix":"10.1007","volume":"18","author":[{"given":"P.-J.","family":"L?Heureux","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"J.","family":"Carreau","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Y.","family":"Bengio","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"O.","family":"Delalleau","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"S. Y.","family":"Yue","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"CR1","unstructured":"Hansch, C. and Leo, A., Exploring QSAR: Fundamentals and Applications in Chemistry and Biology. ACS Professional Reference Book, 1995."},{"key":"CR2","first-page":"119","volume":"4","author":"L. Saul","year":"2002","journal-title":"J. Mach. Learn. Res.,"},{"key":"CR3","volume-title":"Principal Component Analysis","author":"I.T. Jolliffe","year":"2002"},{"issue":"5500","key":"CR4","doi-asserted-by":"crossref","first-page":"2319","DOI":"10.1126\/science.290.5500.2319","volume":"290","author":"J. Tenenbaum","year":"2000","journal-title":"Science"},{"issue":"5500","key":"CR5","doi-asserted-by":"crossref","first-page":"2323","DOI":"10.1126\/science.290.5500.2323","volume":"290","author":"S. Roweis","year":"2000","journal-title":"Science"},{"key":"CR6","doi-asserted-by":"crossref","first-page":"1299","DOI":"10.1162\/089976698300017467","volume":"10","author":"B. Sch\ufffdlkopf","year":"1998","journal-title":"Neural Comput.,"},{"key":"CR7","doi-asserted-by":"crossref","unstructured":"Bengio, Y., Paiement, J., Vincent, P., Delalleau, O., Le Roux, N. and Ouimet M., Out-of-Sample Extensions for LLE, Isomap, MDS, Eigenmaps, and Spectral Clustering. In Thrun, S., Saul, L. and Sch\ufffdlkopf, B. (Eds), Advances in Neural Information Processing Systems 16, 2004.","DOI":"10.1162\/0899766041732396"},{"key":"CR8","unstructured":"Williams, C.K.I. and Seeger, M., Using the Nystr\ufffdm method to speed up kernel machines. In Leen, T., Dietterich, T. and Tresp, V. (Eds), Advances in Neural Information Processing Systems 13. Cambridge, MA, 2001, pp. 682?688."},{"key":"CR9","doi-asserted-by":"crossref","unstructured":"Shawe-Taylor, J., Cristianini, N. and Kandola., J., On the concentration of spectral properties. In Dietterich, T., Becker, S. and Ghahramani, Z. (Eds), Advances in Neural Information Processing Systems 14, 2002.","DOI":"10.7551\/mitpress\/1120.003.0070"},{"key":"CR10","unstructured":"Shawe-Taylor, J. and Williams, C., The stability of kernel principal components analysis and its relation to the process eigenspectrum. In Becker, S., Thrun, S. and Obermayer, K. (Eds), Advances in Neural Information Processing Systems 15, 2003."},{"key":"CR11","doi-asserted-by":"crossref","unstructured":"Zwald, L., Bousquet, O. and Blanchard, G., Statistical Properties of Kernel Principal Component Analysis. In Shawe-Taylor, J. and Singer, Y. (Eds), Learning Theory: Proceedings of 17th Annual Conference on Learning theory, COLT 2004, Banff, Canada, July 1?4. Vol. 3120 of Lecture Notes in Computer Science. Springer, Berlin, Germany, 2004, pp. 594?608.","DOI":"10.1007\/978-3-540-27819-1_41"},{"key":"CR12","volume-title":"Multidimensional Scaling","author":"T. Cox","year":"1994"},{"key":"CR13","volume-title":"Nonlinear Component Analysis as a Kernel Eigenvalue Problem","author":"B. Sch\ufffdlkopf","year":"1996"},{"key":"CR14","volume-title":"Advances in Kernel Methods?Support Vector Learning","author":"B. Sch\ufffdlkopf","year":"1999"},{"key":"CR15","doi-asserted-by":"crossref","first-page":"533","DOI":"10.1038\/323533a0","volume":"323","author":"D. Rumelhart","year":"1986","journal-title":"Nature"},{"issue":"2","key":"CR16","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1080\/00401706.1993.10485033","volume":"35","author":"I. Frank","year":"1993","journal-title":"Technometrics"},{"key":"CR17","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1016\/0223-5234(96)85873-9","volume":"31","author":"P. Harrison","year":"1996","journal-title":"Eur. J. Med. Chem."},{"key":"CR18","doi-asserted-by":"crossref","first-page":"1423","DOI":"10.1021\/ci000450a","volume":"40","author":"F. Burden","year":"2000","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"CR19","doi-asserted-by":"crossref","first-page":"2726","DOI":"10.1021\/jm00113a009","volume":"34","author":"B. Orlek","year":"1991","journal-title":"J. Med. Chem."},{"key":"CR20","unstructured":"Santavy, M. and Labute, P., SVL: The Scientific Vector Language, 1997. www.chemcomp.com\/Journal_of_CCG\/Features\/svl.htm."},{"key":"CR21","doi-asserted-by":"crossref","first-page":"490","DOI":"10.1002\/(SICI)1096-987X(199604)17:5\/6<490::AID-JCC1>3.0.CO;2-P","volume":"17","author":"T. Halgren","year":"1996","journal-title":"J. Comput. Chem."}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-004-5319-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10822-004-5319-9\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-004-5319-9","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,1,20]],"date-time":"2024-01-20T18:27:10Z","timestamp":1705775230000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-004-5319-9"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2004,7]]},"references-count":21,"journal-issue":{"issue":"7-9","published-print":{"date-parts":[[2004,7]]}},"alternative-id":["5319"],"URL":"https:\/\/doi.org\/10.1007\/s10822-004-5319-9","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2004,7]]}}}