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

Results: 11

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

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

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

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

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

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

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