Works matching IS 17582946 AND DT 2010 AND VI 2 AND IP 1

Results: 11

Organization of GC/MS and LC/MS metabolomics data into chemical libraries.
Published in:
Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-9
By:
- DeHaven, Corey D.;
- Evans, Anne M.;
- Hongping Dai;
- Lawton, Kay A.
Publication type:
Article
Basic primitives for molecular diagram sketching.
Published in:
Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-8
By:
- Clark, Alex M.
Publication type:
Article
Collaborative development of predictive toxicology applications.
Published in:
Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-7
By:
- Hardy, Barry;
- Douglas, Nicki;
- Helma, Christoph;
- Rautenberg, Micha;
- Jeliazkova, Nina;
- Jeliazkov, Vedrin;
- Nikolova, Ivelina;
- Benigni, Romualdo;
- Tcheremenskaia, Olga;
- Kramer, Stefan;
- Girschick, Tobias;
- Buchwald, Fabian;
- Wicker, Joerg;
- Karwath, Andreas;
- Gütlein, Martin;
- Maunz, Andreas;
- Sarimveis, Haralambos;
- Melagraki, Georgia;
- Afantitis, Antreas;
- Sopasakis, Pantelis
Publication type:
Article
WENDI: A tool for finding non-obvious relationships between compounds and biological properties, genes, diseases and scholarly publications.
Published in:
Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-6
By:
- Qian Zhu;
- Lajiness, Michael S.;
- Ding, Ying;
- Wild, David J.
Publication type:
Article
Towards interoperable and reproducible QSAR analyses: Exchange of datasets.
Published in:
Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-5
By:
- Spjuth, Ola;
- Willighagen, Egon L.;
- Guha, Rajarshi;
- Eklund, Martin;
- Wikberg, Jarl E. S.
Publication type:
Article
CORRECTION: Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining.
Published in:
2010
Publication type:
Correction Notice
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining.
Published in:
Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-3
By:
- Hettne, Kristina M.;
- Williams, Antony J.;
- van Mulligen, Erik M.;
- Kleinjans, Jos;
- Tkachenko, Valery;
- Kors, Jan A.
Publication type:
Article
Estimation of the applicability domain of kernel-based machine learning models for virtual screening.
Published in:
Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-2
By:
- Fechner, Nikolas;
- Jahn, Andreas;
- Hinselmann, Georg;
- Zell, Andreas
Publication type:
Article
Predicting cytotoxicity from heterogeneous data sources with Bayesian learning.
Published in:
Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-11
By:
- Langdon, Sarah R.;
- Mulgrew, Joanna;
- Paolini, Gaia V.;
- van Hoorn, Willem P.
Publication type:
Article
MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters.
Published in:
Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-10
By:
- Abreu, Rui M. V.;
- Froufe, Hugo J. C.;
- Queiroz, Maria João R. P.;
- Ferreira, Isabel C. F. R.
Publication type:
Article
Molecular structure input on the web.
Published in:
Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-1
By:
- Ertl, Peter
Publication type:
Article