1![Fingerprint Design and Molecular Complexity Effects
Chemical Similarity Searching Long history in pharmaceutical research One of the most popular approaches in virtual screening Fingerprint Design and Molecular Complexity Effects
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2![Genome Informatics 15(2): 82–A Novel Graph-Based Similarity Measure for 2D Chemical Structures Genome Informatics 15(2): 82–A Novel Graph-Based Similarity Measure for 2D Chemical Structures](https://www.pdfsearch.io/img/553aa435d4bbb1449e4a4fcf18a20402.jpg) | Add to Reading ListSource URL: www.jsbi.org- Date: 2004-12-17 02:37:53
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3![Chemical Similarity based on Graph Edit Distance: Efficient Implementation and the Challenges of Evaluation Roger Sayle, John May, Noel O’Boyle, Andrew Grant, Stefan Senger and Darren Green Chemical Similarity based on Graph Edit Distance: Efficient Implementation and the Challenges of Evaluation Roger Sayle, John May, Noel O’Boyle, Andrew Grant, Stefan Senger and Darren Green](https://www.pdfsearch.io/img/663b378f880bdac86fdc182da8c32751.jpg) | Add to Reading ListSource URL: cisrg.shef.ac.ukLanguage: English - Date: 2016-07-22 08:23:17
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4![Big is Not Best – Maximum Common Substructure-based Similarity Searching Edmund Duesbury, John Holliday and Peter Willett Information School, University of Sheffield, Regent Court, 211 Portobello Street, Sheffield S1 4 Big is Not Best – Maximum Common Substructure-based Similarity Searching Edmund Duesbury, John Holliday and Peter Willett Information School, University of Sheffield, Regent Court, 211 Portobello Street, Sheffield S1 4](https://www.pdfsearch.io/img/68b2ec88ddaed0ce337fc05081ba44ff.jpg) | Add to Reading ListSource URL: cisrg.shef.ac.ukLanguage: English - Date: 2016-07-11 10:00:44
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5![Michał Nowotka1, Anne Hersey1 [1] European Molecular Biology Laboratory - European Bioinformatics Institute Email: Locality Sensitive Hashing for compound similarity search. Michał Nowotka1, Anne Hersey1 [1] European Molecular Biology Laboratory - European Bioinformatics Institute Email: Locality Sensitive Hashing for compound similarity search.](https://www.pdfsearch.io/img/eac036c0e458427c873d77b7dd57076c.jpg) | Add to Reading ListSource URL: cisrg.shef.ac.ukLanguage: English - Date: 2016-07-11 09:58:32
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6![Manifold-based Similarity Adaptation for Label Propagation Masayuki Karasuyama and Hiroshi Mamitsuka Bioionformatics Center, Institute for Chemical Research, Kyoto University, Japan {karasuyama,mami}@kuicr.kyoto-u.ac.jp Manifold-based Similarity Adaptation for Label Propagation Masayuki Karasuyama and Hiroshi Mamitsuka Bioionformatics Center, Institute for Chemical Research, Kyoto University, Japan {karasuyama,mami}@kuicr.kyoto-u.ac.jp](https://www.pdfsearch.io/img/d661ca9abd1b1c6a39ee0e5e636ee405.jpg) | Add to Reading ListSource URL: papers.nips.ccLanguage: English - Date: 2014-11-25 15:19:06
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7![ConTour: Data-Driven Exploration of Multi-Relational Datasets for Drug Discovery Christian Partl, Alexander Lex, Marc Streit, Hendrik Strobelt, Anne-Mai Wassermann, Hanspeter Pfister and Dieter Schmalstieg Fig. 1. ConTo ConTour: Data-Driven Exploration of Multi-Relational Datasets for Drug Discovery Christian Partl, Alexander Lex, Marc Streit, Hendrik Strobelt, Anne-Mai Wassermann, Hanspeter Pfister and Dieter Schmalstieg Fig. 1. ConTo](https://www.pdfsearch.io/img/08d1d6646b3812a03a17a1194c0d0571.jpg) | Add to Reading ListSource URL: people.seas.harvard.eduLanguage: English - Date: 2015-05-26 14:38:30
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8![Kramer and Liedl Journal of Cheminformatics 2014, 6(Suppl 1):O6 http://www.jcheminf.com/content/6/S1/O6 ORAL PRESENTATION Open Access Kramer and Liedl Journal of Cheminformatics 2014, 6(Suppl 1):O6 http://www.jcheminf.com/content/6/S1/O6 ORAL PRESENTATION Open Access](https://www.pdfsearch.io/img/93c77eb04fd7b89d58174383aab35972.jpg) | Add to Reading ListSource URL: www.jcheminf.comLanguage: English |
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9![Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits](https://www.pdfsearch.io/img/389fb0010e24cf9d18b629812291120e.jpg) | Add to Reading ListSource URL: www.jcheminf.comLanguage: English |
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10![1 Similarity theory of withdrawn water temperature experiment 2 1 Similarity theory of withdrawn water temperature experiment 2](https://www.pdfsearch.io/img/ae1d5349074c18b963cf77d1c6dbbfd8.jpg) | Add to Reading ListSource URL: downloads.hindawi.comLanguage: English - Date: 2015-01-24 03:15:15
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