Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Tobias Girschick"'
Publikováno v:
The Computer Journal. 56:274-288
Quantitative structure–activity relationships are regression models relating chemical structure to biological activity. Such models allow to make predictions for toxicologically relevant endpoints, which constitute the target outcomes of experiment
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e347b4fee850e769bb2d58a9e921f9f6
https://doi.org/10.1093/comjnl/bxs092
https://doi.org/10.1093/comjnl/bxs092
Publikováno v:
Molecular Informatics. 30:205-218
We present a novel (Q)SAR approach that detects groups of structures for local (Q)SAR modeling. The algorithm combines clustering and classification or regression for making predictions on chemical structure data. A clustering procedure producing clu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5bc53aeb097e371814609367b0ef12d
https://doi.org/10.1002/minf.201000154
https://doi.org/10.1002/minf.201000154
Publikováno v:
Inductive Logic Programming ISBN: 9783642212949
ILP
ILP
We present a numerical refinement operator based on multiinstance learning. In the approach, the task of handling numerical variables in a clause is delegated to statistical multi-instance learning schemes. To each clause, there is an associated mult
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::72141abe1d956775961f5b292a5d6eca
https://doi.org/10.1007/978-3-642-21295-6_5
https://doi.org/10.1007/978-3-642-21295-6_5
Autor:
Ivelina Nikolova, Jörg Wicker, Pantelis Sopasakis, Christoph Helma, Dmitry Filimonov, Hitesh Patel, Natalia Skvortsova, Vladimir Poroikov, D. S. Druzhilovsky, Alexey Lagunin, Vedrin Jeliazkov, Haralambos Sarimveis, Barry Hardy, Nicki Douglas, Tatyana A. Gloriozova, Sylvia Escher, Olga Tcheremenskaia, Andreas Karwath, Stefan Kramer, Fabian Buchwald, Indira Ghosh, Georgia Melagraki, Romualdo Benigni, Surajit Ray, Tobias Girschick, Andreas Maunz, Antreas Afantitis, Sergey V. Novikov, Alexey V. Zakharov, Sunil Chawla, Martin Gütlein, Micha Rautenberg, Nina Jeliazkova, David Gallagher
Publikováno v:
Journal of Cheminformatics
Journal of Cheminformatics, Vol 2, Iss 1, p 7 (2010)
Journal of Cheminformatics; Vol 2
Journal of Cheminformatics, Vol 2, Iss 1, p 7 (2010)
Journal of Cheminformatics; Vol 2
OpenTox provides an interoperable, standards-based Framework for the support of predictive toxicology data management, algorithms, modelling, validation and reporting. It is relevant to satisfying the chemical safety assessment requirements of the RE
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::53ec48bbe35403fa466dd05da5641cdd
https://pubmed.ncbi.nlm.nih.gov/20807436
https://pubmed.ncbi.nlm.nih.gov/20807436
Publikováno v:
Machine Learning and Knowledge Discovery in Databases ISBN: 9783642159381
ECML/PKDD (3)
ECML/PKDD (3)
The goal of graph clustering is to partition objects in a graph database into different clusters based on various criteria such as vertex connectivity, neighborhood similarity or the size of the maximum common subgraph. This can serve to structure th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a96d53e562b818bf83ab30630320527c
https://doi.org/10.1007/978-3-642-15939-8_14
https://doi.org/10.1007/978-3-642-15939-8_14
Publikováno v:
Discovery Science ISBN: 9783642161834
Discovery Science
Discovery Science
Quantitative structure-activity relationships (QSARs) are regression models relating chemical structure to biological activity. Such models allow to make predictions for toxicologically or pharmacologically relevant endpoints, which constitute the ta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d1d900fc81861dbd44823d3bc4667453
https://doi.org/10.1007/978-3-642-16184-1_24
https://doi.org/10.1007/978-3-642-16184-1_24
Autor:
Pawel Smialowski, Dmitrij Frishman, Tad A. Holak, Aleksandra Mikolajka, Tobias Girschick, Antonio J. Martín-Galiano
Publikováno v:
Bioinformatics (Oxford, England). 23(19)
Motivation: Obtaining soluble proteins in sufficient concentrations is a recurring limiting factor in various experimental studies. Solubility is an individual trait of proteins which, under a given set of experimental conditions, is determined by th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dcd43ac1ae77ada7294caf2a72d0db81
https://pubmed.ncbi.nlm.nih.gov/17150993
https://pubmed.ncbi.nlm.nih.gov/17150993
Publikováno v:
Journal of Cheminformatics
Protein-protein interactions (PPIs) are broadly recognized as an emerging target class for a whole new era in drug discovery. They show significant differences to classical target classes and have been regarded as "undruggable" for a long time. Priax
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3bc68481fc1c5fe69c4d1e8c2eb21a29
http://europepmc.org/articles/PMC3606154
http://europepmc.org/articles/PMC3606154
Autor:
Pawel Smialowski, Antonio J. Martin-Galiano, Aleksandra Mikolajka, Tobias Girschick, Tad A. Holak, Dmitrij Frishman
Publikováno v:
Bioinformatics; Oct2007, Vol. 23 Issue 19, p2536-2536, 1p