Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Thomas Greve Kristensen"'
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 5, Iss 6, p e201302009 (2013)
Developing new medical drugs is expensive. Among the first steps is a screening process, in which molecules in existing chemical libraries are tested for activity against a given target. This requires a lot of resources and manpower. Therefore it has
Externí odkaz:
https://doaj.org/article/7fb8af3091f8491fa58e09d9bab87006
Publikováno v:
Biology of Reproduction. 72:150-156
Whether endocrine disruption in an individual male is actually translated into reduced reproductive success in a natural competitive environment is extremely difficult to predict. Here, we have used paternity analysis to provide new information on th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9734e87acffcbd6e7bd124acf2530d48
https://doi.org/10.1095/biolreprod.104.033001
https://doi.org/10.1095/biolreprod.104.033001
Autor:
Thomas Greve Kristensen
Publikováno v:
FARM@ICFP
This paper introduces Composer, a system offering composition capabilities for live performance, requiring no prior experience with composition and programming. Current research in computer assisted composition is focused on offline composition. A co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dd9a695c87145f87ba85348d3d519abf
https://doi.org/10.1145/2633638.2633646
https://doi.org/10.1145/2633638.2633646
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 5, Iss 6 (2013)
Kristensen, T G, Nielsen, J & Pedersen, C N S 2013, ' Methods for Similarity-Based Virtual Screening ', Computational and Structural Biotechnology Journal, vol. 5, no. 6 . https://doi.org/10.5936/csbj.201302009
Computational and Structural Biotechnology Journal
Computational and Structural Biotechnology Journal, Vol 5, Iss 6, p e201302009 (2013)
Kristensen, T G, Nielsen, J & Pedersen, C N S 2013, ' Methods for Similarity-Based Virtual Screening ', Computational and Structural Biotechnology Journal, vol. 5, no. 6 . https://doi.org/10.5936/csbj.201302009
Computational and Structural Biotechnology Journal
Computational and Structural Biotechnology Journal, Vol 5, Iss 6, p e201302009 (2013)
Developing new medical drugs is expensive. Among the first steps is a screening process, in which molecules in existing chemical libraries are tested for activity against a given target. This requires a lot of resources and manpower. Therefore it has
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a7336a9e5c11cb8693c81a01ec91e454
http://www.sciencedirect.com/science/article/pii/S2001037014600374
http://www.sciencedirect.com/science/article/pii/S2001037014600374
Publikováno v:
Molecular informatics. 30(9)
In many large chemoinformatics database systems, molecules are represented by long binary fingerprint vectors whose components record the presence or absence of particular functional groups or combinatorial features. For a given query molecule, one i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::63a877de964b0131553e28d1809cf952
https://pubmed.ncbi.nlm.nih.gov/27467411
https://pubmed.ncbi.nlm.nih.gov/27467411
Publikováno v:
Kristensen, T G, Nielsen, J & Pedersen, C N S 2011, ' Using Inverted Indices for Accelerating LINGO Calculations ', Journal of Chemical Information and Modeling, vol. 51, no. 3, pp. 597-600 . https://doi.org/10.1021/ci100437e
The ever growing size of chemical data bases calls for the development of novel methods for representing and comparing molecules. One such method called LINGO is based on fragmenting the SMILES string representation of molecules. Comparison of molecu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d29e86add9e996fd77ae32553021c84b
https://pubmed.ncbi.nlm.nih.gov/21332133
https://pubmed.ncbi.nlm.nih.gov/21332133
Publikováno v:
Algorithms for Molecular Biology, Vol 5, Iss 1, p 9 (2010)
Algorithms for Molecular Biology : AMB
Kristensen, T G, Nielsen, J & Pedersen, C N S 2010, ' A tree-based method for the rapid screening of chemical fingerprints ', Algorithms for Molecular Biology, vol. 5, no. 9 . https://doi.org/10.1186/1748-7188-5-9
Algorithms for Molecular Biology : AMB
Kristensen, T G, Nielsen, J & Pedersen, C N S 2010, ' A tree-based method for the rapid screening of chemical fingerprints ', Algorithms for Molecular Biology, vol. 5, no. 9 . https://doi.org/10.1186/1748-7188-5-9
Background The fingerprint of a molecule is a bitstring based on its structure, constructed such that structurally similar molecules will have similar fingerprints. Molecular fingerprints can be used in an initial phase of drug development for identi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c8a141f47a5c90589e963378ec9ff27f
http://www.almob.org/content/5/1/9
http://www.almob.org/content/5/1/9
Autor:
Thomas Greve Kristensen
Publikováno v:
Kristensen, T G 2010, ' Transforming Tanimoto queries on real valued vectors to range queries in Euclidian space ', Journal of Mathematical Chemistry, vol. 48, no. 2, pp. 287-289 . https://doi.org/10.1007/s10910-010-9668-4
The Tanimoto coefficient has previously been proven to be a metric, but only in the case of binary valued vectors. Moreover, it has been proven that the Tanimoto coefficient for real valued vectors is not a metric. This means that it is not immediate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75ae01119672a8ac571723c350c51872
https://pure.au.dk/portal/da/publications/transforming-tanimoto-queries-on-real-valued-vectors-to-range-queries-in-euclidian-space(a4329550-d5f0-11df-a891-000ea68e967b).html
https://pure.au.dk/portal/da/publications/transforming-tanimoto-queries-on-real-valued-vectors-to-range-queries-in-euclidian-space(a4329550-d5f0-11df-a891-000ea68e967b).html
Publikováno v:
Lecture Notes in Computer Science ISBN: 9783642152931
WABI
WABI
Previous methods for accelerating Tanimoto queries have been based on using bit strings for representing molecules. No work has gone into examining accelerating Tanimoto queries on real valued descriptors, even though these offer a much more fine gra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a75b8d428f364156653f02ad63d3cc6
https://doi.org/10.1007/978-3-642-15294-8_3
https://doi.org/10.1007/978-3-642-15294-8_3
Publikováno v:
IJCBS
Kristensen, T G & Pedersen, C S 2009, Optimal Overlay of Ligands with Flexible Bonds Using Differential Evolution . in J Zhang, G-Z Li & J Y Yang (eds), Proceedings of the 2009 International Joint conferences on Bioinformatics, System biology and Intelligent Computing (IJCBS2009) . IEEE Computer Society Press, pp. 331-334, Shanghai, China, 03/08/2009 . https://doi.org/10.1109/IJCBS.2009.36
Pedersen, C S & Kristensen, T G 2009, ' Optimal Overlay of Ligands with Flexible Bonds Using Differential Evolution ', Stockholm, Sweden, 27/06/2009-02/07/2009, .
Kristensen, T G & Pedersen, C S 2009, Optimal Overlay of Ligands with Flexible Bonds Using Differential Evolution . in J Zhang, G-Z Li & J Y Yang (eds), Proceedings of the 2009 International Joint conferences on Bioinformatics, System biology and Intelligent Computing (IJCBS2009) . IEEE Computer Society Press, pp. 331-334, Shanghai, China, 03/08/2009 . https://doi.org/10.1109/IJCBS.2009.36
Pedersen, C S & Kristensen, T G 2009, ' Optimal Overlay of Ligands with Flexible Bonds Using Differential Evolution ', Stockholm, Sweden, 27/06/2009-02/07/2009, .
When designing novel drugs, the need arise to screen large databases of drug candidates (small synthesizable chemical structures) for structures that resemble active ligands, i.e. small chemical structures that are known to react with the target prot
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::301d28656db1eba2ec0cd599fd7c2142
https://doi.org/10.1109/ijcbs.2009.36
https://doi.org/10.1109/ijcbs.2009.36