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Publication search results
found 54 matches
- 2011
- Sam E. Adams, Pablo de Castro, Pablo Echenique, Jorge Estrada, Marcus D. Hanwell, Peter Murray-Rust, Paul Sherwood, Jens Thomas, Joe Townsend:
The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age. J. Cheminformatics 3: 38 (2011) - Evan Bolton, Jie Chen, Sunghwan Kim, Lianyi Han, Siqian He, Wenyao Shi, Vahan Simonyan, Yan Sun, Paul A. Thiessen, Jiyao Wang, Bo Yu, Jian Zhang, Stephen H. Bryant:
PubChem3D: a new resource for scientists. J. Cheminformatics 3: 32 (2011) - Evan Bolton, Sunghwan Kim, Stephen H. Bryant:
PubChem3D: Conformer generation. J. Cheminformatics 3: 4 (2011) - Evan Bolton, Sunghwan Kim, Stephen H. Bryant:
PubChem3D: Diversity of shape. J. Cheminformatics 3: 9 (2011) - Evan Bolton, Sunghwan Kim, Stephen H. Bryant:
PubChem3D: Similar conformers. J. Cheminformatics 3: 13 (2011) - Brian Brooks, Adam L. Thorn, Matthew Smith, Peter Matthews, Shaoming Chen, Ben O'Steen, Sam E. Adams, Joe Townsend, Peter Murray-Rust:
Ami - The chemist's amanuensis. J. Cheminformatics 3: 45 (2011) - Fabian Buchwald, Lothar Richter, Stefan Kramer:
Predicting a small molecule-kinase interaction map: A machine learning approach. J. Cheminformatics 3: 22 (2011) - Leonid L. Chepelev, Michel Dumontier:
Semantic Web integration of Cheminformatics resources with the SADI framework. J. Cheminformatics 3: 16 (2011) - Leonid L. Chepelev, Michel Dumontier:
Chemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integration. J. Cheminformatics 3: 20 (2011) - Pavel Dallakian, Norbert Haider:
FlaME: Flash Molecular Editor - a 2D structure input tool for the web. J. Cheminformatics 3: 6 (2011) - Axel Drefahl:
CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures. J. Cheminformatics 3: 1 (2011) - Xin Fu, Anna Wojak, Daniel Neagu, Mick J. Ridley, Kim Travis:
Data governance in predictive toxicology: A review. J. Cheminformatics 3: 24 (2011) - Andrei A. Gakh, Michael N. Burnett, Sergei V. Trepalin, Alexander V. Yarkov:
Modular Chemical Descriptor Language (MCDL): Stereochemical modules. J. Cheminformatics 3: 5 (2011) - Lezan Hawizy, David M. Jessop, Nico Adams, Peter Murray-Rust:
ChemicalTagger: A tool for semantic text-mining in chemistry. J. Cheminformatics 3: 17 (2011) - Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, Nikolas Fechner, Andreas Zell:
jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints. J. Cheminformatics 3: 3 (2011) - John D. Holliday, Evangelos Kanoulas, Nurul Malim, Peter Willett:
Multiple search methods for similarity-based virtual screening: analysis of search overlap and precision. J. Cheminformatics 3: 29 (2011) - Abrar Hussain, Peter E. Shaw, Jonathan D. Hirst:
Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain. J. Cheminformatics 3: 49 (2011) - Andreas Jahn, Lars Rosenbaum, Georg Hinselmann, Andreas Zell:
4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening. J. Cheminformatics 3: 23 (2011) - Nina Jeliazkova, Vedrin Jeliazkov:
AMBIT RESTful web services: an implementation of the OpenTox application programming interface. J. Cheminformatics 3: 18 (2011) - David M. Jessop, Sam E. Adams, Peter Murray-Rust:
Mining chemical information from open patents. J. Cheminformatics 3: 40 (2011) - David M. Jessop, Sam E. Adams, Egon L. Willighagen, Lezan Hawizy, Peter Murray-Rust:
OSCAR4: a flexible architecture for chemical text-mining. J. Cheminformatics 3: 41 (2011) - Richard Jones, Mark MacGillivray, Peter Murray-Rust, Jim Pitman, Peter Sefton, Ben O'Steen, William Waites:
Open Bibliography for Science, Technology, and Medicine. J. Cheminformatics 3: 47 (2011) - Jochen Junker:
Theoretical NMR correlations based Structure Discussion. J. Cheminformatics 3: 27 (2011) - Jochen Junker:
Statistical filtering for NMR based structure generation. J. Cheminformatics 3: 31 (2011) - Varun Khanna, Shoba Ranganathan:
Structural diversity of biologically interesting datasets: a scaffold analysis approach. J. Cheminformatics 3: 30 (2011) - Sunghwan Kim, Evan Bolton, Stephen H. Bryant:
PubChem3D: Shape compatibility filtering using molecular shape quadrupoles. J. Cheminformatics 3: 25 (2011) - Sunghwan Kim, Evan Bolton, Stephen H. Bryant:
PubChem3D: Biologically relevant 3-D similarity. J. Cheminformatics 3: 26 (2011) - Norman C. LeDonne, Kevin Rissolo, James Bulgarelli, Leonard Tini:
Use of structure-activity landscape index curves and curve integrals to evaluate the performance of multiple machine learning prediction models. J. Cheminformatics 3: 7 (2011) - Michael P. Mazanetz, Osamu Ichihara, Richard Law, Mark Whittaker:
Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method. J. Cheminformatics 3: 2 (2011) - Patrick McCarren, Clayton Springer, Lewis Whitehead:
An investigation into pharmaceutically relevant mutagenicity data and the influence on Ames predictive potential. J. Cheminformatics 3: 51 (2011)
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