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ORCIDJournal of Cheminformatics, Volume 2
Volume 2, 2010
- Peter Ertl
:
Molecular structure input on the web. 1 - Nikolas Fechner, Andreas Jahn, Georg Hinselmann, Andreas Zell:
Estimation of the applicability domain of kernel-based machine learning models for virtual screening. 2 - Kristina M. Hettne, Antony J. Williams, Erik M. van Mulligen, Jos Kleinjans, Valery Tkachenko, Jan A. Kors:
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining. 3 - Kristina M. Hettne, Antony J. Williams, Erik M. van Mulligen, Jos Kleinjans, Valery Tkachenko, Jan A. Kors:
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining (Correction). 4 - Ola Spjuth, Egon L. Willighagen, Rajarshi Guha, Martin Eklund, Jarl E. S. Wikberg:
Towards interoperable and reproducible QSAR analyses: Exchange of datasets. 5 - Qian Zhu, Michael S. Lajiness, Ying Ding, David J. Wild:
WENDI: A tool for finding non-obvious relationships between compounds and biological properties, genes, diseases and scholarly publications. 6 - Barry J. Hardy, Nicki Douglas, Christoph Helma, Micha Rautenberg, Nina Jeliazkova, Vedrin Jeliazkov, Ivelina Nikolova, Romualdo Benigni, Olga Tcheremenskaia, Stefan Kramer, Tobias Girschick, Fabian Buchwald, Jörg Wicker, Andreas Karwath, Martin Gütlein, Andreas Maunz, Haralambos Sarimveis, Georgia Melagraki, Antreas Afantitis, Pantelis Sopasakis, David Gallagher, Vladimir Poroikov, Dmitry Filimonov, Alexey V. Zakharov, Alexey Lagunin, Tatyana Gloriozova, Sergey Novikov, Natalia Skvortsova, Dmitry S. Druzhilovskiy, Sunil Chawla, Indira Ghosh, Surajit Ray, Hitesh Patel, Sylvia Escher:
Collaborative development of predictive toxicology applications. 7 - Alex M. Clark:
Basic primitives for molecular diagram sketching. 8 - Corey D. DeHaven, Anne M. Evans, Hongping Dai, Kay A. Lawton:
Organization of GC/MS and LC/MS metabolomics data into chemical libraries. 9 - Rui M. V. Abreu, Hugo J. C. Froufe, Maria Queiroz, Isabel C. F. R. Ferreira:
MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters. 10 - Sarah R. Langdon, Joanna Mulgrew, Gaia Valeria Paolini, Willem P. van Hoorn:
Predicting cytotoxicity from heterogeneous data sources with Bayesian learning. 11
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