{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,3,4]],"date-time":"2025-03-04T06:00:46Z","timestamp":1741068046576,"version":"3.38.0"},"publisher-location":"Berlin, Heidelberg","reference-count":16,"publisher":"Springer Berlin Heidelberg","isbn-type":[{"type":"print","value":"9783642199134"},{"type":"electronic","value":"9783642199141"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2011]]},"DOI":"10.1007\/978-3-642-19914-1_46","type":"book-chapter","created":{"date-parts":[[2011,3,9]],"date-time":"2011-03-09T16:13:24Z","timestamp":1299687204000},"page":"355-363","source":"Crossref","is-referenced-by-count":0,"title":["Assessing the Effect of 2D Fingerprint Filtering on ILP-Based Structure-Activity Relationships Toxicity Studies in Drug Design"],"prefix":"10.1007","author":[{"given":"Rui","family":"Camacho","sequence":"first","affiliation":[]},{"given":"Max","family":"Pereira","sequence":"additional","affiliation":[]},{"given":"V\u00edtor Santos","family":"Costa","sequence":"additional","affiliation":[]},{"given":"Nuno A.","family":"Fonseca","sequence":"additional","affiliation":[]},{"given":"Carlos J. V.","family":"Sim\u00f5es","sequence":"additional","affiliation":[]},{"given":"Rui M. M.","family":"Brito","sequence":"additional","affiliation":[]}],"member":"297","reference":[{"key":"46_CR1","doi-asserted-by":"crossref","unstructured":"Plewczynski, D.: Tvscreen: Trend vector virtual screening of large commercial compounds collections. In: BIOTECHNO 2008, pp. 59\u201363 (2008)","DOI":"10.1109\/BIOTECHNO.2008.15"},{"key":"46_CR2","doi-asserted-by":"crossref","unstructured":"Graham, J., Page, C., Kamal, A.: Accelerating the drug design process through parallel inductive logic programming data mining. In: CSB 2003, p. 400 (2003)","DOI":"10.1109\/CSB.2003.1227345"},{"issue":"3","key":"46_CR3","doi-asserted-by":"publisher","first-page":"192","DOI":"10.1038\/nrd1032","volume":"2","author":"H. Waterbeemd van de","year":"2003","unstructured":"van de Waterbeemd, H., Gifford, E.: Admet in silico modelling: towards prediction paradise? Nat. Rev. Drug. Discov.\u00a02(3), 192\u2013204 (2003)","journal-title":"Nat. Rev. Drug. Discov."},{"issue":"3","key":"46_CR4","doi-asserted-by":"publisher","first-page":"998","DOI":"10.1021\/ci600223d","volume":"47","author":"A. Amini","year":"2007","unstructured":"Amini, A., Muggleton, S., Lodhi, H., Sternberg, M.: A novel logic-based approach for quantitative toxicology prediction. J. Chem. Inf. Model.\u00a047(3), 998\u20131006 (2007)","journal-title":"J. Chem. Inf. Model."},{"issue":"2-4","key":"46_CR5","doi-asserted-by":"publisher","first-page":"119","DOI":"10.1023\/A:1025361621494","volume":"17","author":"J. Dearden","year":"2003","unstructured":"Dearden, J.: In silico prediction of drug toxicity. Journal of Computer-Aided Molecular Design\u00a017(2-4), 119\u2013127 (2003)","journal-title":"Journal of Computer-Aided Molecular Design"},{"key":"46_CR6","doi-asserted-by":"publisher","first-page":"77","DOI":"10.1016\/S1383-5718(03)00135-9","volume":"539","author":"A. White","year":"2003","unstructured":"White, A., Mueller, R., Gallavan, R., Aaron, S., Wilson, A.: A multiple in silico program approach for the prediction of mutagenicity from chemical structure. Mutation Research\/Genetic Toxicology and Env. Mutagenesis\u00a0539, 77\u201389 (2003)","journal-title":"Mutation Research\/Genetic Toxicology and Env. Mutagenesis"},{"key":"46_CR7","series-title":"Applications of Soft Compt.: Recent Trends. Advances in Soft Compt","volume-title":"Advances in the Application of Machine Learning Techniques in Drug Discovery, Design and Development","year":"2006","unstructured":"Tiwari, A., Knowles, J., Avineri, E., Dahal, K., Roy, R. (eds.): Advances in the Application of Machine Learning Techniques in Drug Discovery, Design and Development. Applications of Soft Compt.: Recent Trends. Advances in Soft Compt. Springer, Heidelberg (2006)"},{"issue":"1","key":"46_CR8","doi-asserted-by":"publisher","first-page":"312","DOI":"10.1021\/jm040835a","volume":"48","author":"J. Kazius","year":"2005","unstructured":"Kazius, J., Mcguire, R., Bursi, R.: Derivation and validation of toxicophores for mutagenicity prediction. J. Med. Chem.\u00a048(1), 312\u2013320 (2005)","journal-title":"J. Med. Chem."},{"key":"46_CR9","doi-asserted-by":"crossref","unstructured":"Neagu, D., Craciun, M., Stroia, S., Bumbaru, S.: Hybrid intelligent systems for predictive toxicology - a distributed approach. In: International Conference on Intelligent Systems Design and Applications, pp. 26\u201331 (2005)","DOI":"10.1109\/ISDA.2005.52"},{"issue":"10","key":"46_CR10","doi-asserted-by":"publisher","first-page":"1504","DOI":"10.1002\/anie.200462457","volume":"44","author":"T. Fink","year":"2005","unstructured":"Fink, T., Bruggesser, H., Reymond, J.L.: Virtual exploration of the small-molecule chemical universe below 160 daltons. Angew Chem. Int. Ed. Engl.\u00a044(10), 1504\u20131508 (2005)","journal-title":"Angew Chem. Int. Ed. Engl."},{"key":"46_CR11","doi-asserted-by":"publisher","first-page":"299","DOI":"10.1093\/bib\/bbn017","volume":"9","author":"S. Kumar","year":"2008","unstructured":"Kumar, S., Dudley, J., Nei, M., Tamura, K.: Mega: A biologist-centric software for evolutionary analysis of dna and protein sequences. Briefings in Bioinf.\u00a09, 299\u2013306 (2008)","journal-title":"Briefings in Bioinf."},{"issue":"26","key":"46_CR12","doi-asserted-by":"publisher","first-page":"27","DOI":"10.1016\/S0027-5107(01)00289-5","volume":"499","author":"A. Richard","year":"2002","unstructured":"Richard, A., Williams, C.: Distributed structure-searchable toxicity (dsstox) public database network: a proposal. Mutation Research\/Fundamental and Molecular Mechanisms of Mutagenesis\u00a0499(26), 27\u201352 (2002)","journal-title":"Mutation Research\/Fundamental and Molecular Mechanisms of Mutagenesis"},{"issue":"46","key":"46_CR13","doi-asserted-by":"publisher","first-page":"991","DOI":"10.1021\/ci050400b","volume":"3","author":"R. Guha","year":"2006","unstructured":"Guha, R., Howard, M., Hutchison, G., Murray-Rust, P., Rzepa, H., Steinbeck, C., Wegner, J., Willighagen, E.: The blue obelisk \u2013 interoperability in chemical informatics. J. Chem. Inf. Model.\u00a03(46), 991\u2013998 (2006)","journal-title":"J. Chem. Inf. Model."},{"key":"46_CR14","unstructured":"Srinivasan, A.: The Aleph Manual (2003), http:\/\/web.comlab.ox.ac.uk\/oucl\/research\/areas\/machlearn\/Aleph"},{"key":"46_CR15","doi-asserted-by":"crossref","unstructured":"Pereira, M., Costa, V.S., Camacho, R., Fonseca, N.A., Simoes, C., Brito, R.: Comparative study of classification algorithms using molecular descriptors in toxicological databases. In: Brasilian Symposium on Bioinformatics (2009)","DOI":"10.1007\/978-3-642-03223-3_11"},{"key":"46_CR16","volume-title":"Data Mining: Practical machine learning tools and techniques","author":"I.H. Witten","year":"2005","unstructured":"Witten, I.H., Frank, E.: Data Mining: Practical machine learning tools and techniques, 2nd edn. Morgan Kaufmann, San Francisco (2005)","edition":"2"}],"container-title":["Advances in Intelligent and Soft Computing","5th International Conference on Practical Applications of Computational Biology & Bioinformatics (PACBB 2011)"],"original-title":[],"link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/978-3-642-19914-1_46.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,3,3]],"date-time":"2025-03-03T22:53:12Z","timestamp":1741042392000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/978-3-642-19914-1_46"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2011]]},"ISBN":["9783642199134","9783642199141"],"references-count":16,"URL":"https:\/\/doi.org\/10.1007\/978-3-642-19914-1_46","relation":{},"ISSN":["1867-5662","1867-5670"],"issn-type":[{"type":"print","value":"1867-5662"},{"type":"electronic","value":"1867-5670"}],"subject":[],"published":{"date-parts":[[2011]]}}}