Volume 2; Issue 1

Journal of Cheminformatics

Volume 2; Issue 1

1

Molecular structure input on the web

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 3.32 MB

english, 2010

2

MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters

Rui MV Abreu, Hugo JC Froufe, Maria João RP Queiroz, Isabel CFR Ferreira

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 520 KB

english, 2010

3

Predicting cytotoxicity from heterogeneous data sources with Bayesian learning

Sarah R Langdon, Joanna Mulgrew, Gaia V Paolini, Willem P van Hoorn

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 1.28 MB

english, 2010

4

Estimation of the applicability domain of kernel-based machine learning models for virtual screening

Nikolas Fechner, Andreas Jahn, Georg Hinselmann, Andreas Zell

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 1.10 MB

english, 2010

5

Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining

Kristina M Hettne, Antony J Williams, Erik M van Mulligen, Jos Kleinjans, Valery Tkachenko, Jan A Kors

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 204 KB

english, 2010

6

Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining

Kristina M Hettne, Antony J Williams, Erik M van Mulligen, Jos Kleinjans, Valery Tkachenko, Jan A Kors

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 222 KB

english, 2010

7

Towards interoperable and reproducible QSAR analyses: Exchange of datasets

Ola Spjuth, Egon L Willighagen, Rajarshi Guha, Martin Eklund, Jarl ES Wikberg

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 2.45 MB

english, 2010

8

WENDI: A tool for finding non-obvious relationships between compounds and biological properties, genes, diseases and scholarly publications

Qian Zhu, Michael S Lajiness, Ying Ding, David J Wild

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 1.92 MB

english, 2010

9

Collaborative development of predictive toxicology applications

Barry Hardy, Nicki Douglas, Christoph Helma, Micha Rautenberg, Nina Jeliazkova, Vedrin Jeliazkov, Ivelina Nikolova, Romualdo Benigni, Olga Tcheremenskaia, Stefan Kramer, Tobias Girschick, Fabian Buchw

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 3.76 MB

english, 2010

10

Basic primitives for molecular diagram sketching

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 783 KB

english, 2010

11

Organization of GC/MS and LC/MS metabolomics data into chemical libraries

Corey D DeHaven, Anne M Evans, Hongping Dai, Kay A Lawton

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 2.91 MB

english, 2010