Works matching DE "CHEMISTRY databases"
Results: 24
New tool can help speed development of new materials.
- Published in:
- Advanced Materials & Processes, 2012, v. 170, n. 2, p. 8
- Publication type:
- Article
Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns.
- Published in:
- Scientific Data, 2019, v. 6, n. 1, p. N.PAG, doi. 10.1038/s41597-019-0145-z
- By:
- Publication type:
- Article
PRINCEPS: A Computer-Based Approach to the Structural Description and Recognition of Trends within Structural Databases, and Its Application to the Ce-Ni-Si System.
- Published in:
- Crystals (2073-4352), 2016, v. 6, n. 4, p. 35, doi. 10.3390/cryst6040035
- By:
- Publication type:
- Article
REVERSED-PHASE LIQUID CHROMATOGRAPHIC METHOD DEVELOPMENT IN AN ANALYTICAL QUALITY BY DESIGN FRAMEWORK.
- Published in:
- Journal of Liquid Chromatography & Related Technologies, 2013, v. 36, n. 18, p. 2612, doi. 10.1080/10826076.2013.765457
- By:
- Publication type:
- Article
The Development of a Combined Search for a Heterogeneous Chemistry Database.
- Published in:
- Data Science Journal, 2015, v. 14, p. 1, doi. 10.5334/dsj-2015-003
- By:
- Publication type:
- Article
Interaction of analytical chemistry with accreditation/certification.
- Published in:
- 2017
- By:
- Publication type:
- Editorial
Assessment of the significance of patent-derived information for the early identification of compound-target interaction hypotheses.
- Published in:
- Journal of Cheminformatics, 2017, v. 9, n. 1, p. 1, doi. 10.1186/s13321-017-0214-2
- By:
- Publication type:
- Article
Scaffold analysis of PubChem database as background for hierarchical scaffold-based visualization.
- Published in:
- Journal of Cheminformatics, 2016, v. 8, n. 1, p. 1, doi. 10.1186/s13321-016-0186-7
- By:
- Publication type:
- Article
ClassyFire: automated chemical classification with a comprehensive, computable taxonomy.
- Published in:
- Journal of Cheminformatics, 2016, v. 8, n. 1, p. 1, doi. 10.1186/s13321-016-0174-y
- By:
- Publication type:
- Article
Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets.
- Published in:
- Journal of Cheminformatics, 2016, v. 8, n. 1, p. 1, doi. 10.1186/s13321-016-0163-1
- By:
- Publication type:
- Article
Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents.
- Published in:
- Journal of Cheminformatics, 2015, v. 7, n. 1, p. 1, doi. 10.1186/s13321-015-0097-z
- By:
- Publication type:
- Article
A generalizable definition of chemical similarity for read-across.
- Published in:
- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/s13321-014-0039-1
- By:
- Publication type:
- Article
A document classifier for medicinal chemistry publications trained on the ChEMBL corpus.
- Published in:
- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/s13321-014-0040-8
- By:
- Publication type:
- Article
CheS-Mapper 2.0 for visual validation of (Q)SAR models.
- Published in:
- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/s13321-014-0041-7
- By:
- Publication type:
- Article
Quantitative estimation of pesticide-likeness for agrochemical discovery.
- Published in:
- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/s13321-014-0042-6
- By:
- Publication type:
- Article
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers.
- Published in:
- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/s13321-014-0043-5
- By:
- Publication type:
- Article
Extended graph-based models for enhanced similarity retrieval in Cavbase.
- Published in:
- 2013
- By:
- Publication type:
- Conference Paper/Materials
A next-generation chemistry database cartridge.
- Published in:
- 2013
- By:
- Publication type:
- Conference Paper/Materials
Structure-based classification and ontology in chemistry.
- Published in:
- Journal of Cheminformatics, 2012, v. 4, n. 1, p. 8, doi. 10.1186/1758-2946-4-8
- Publication type:
- Article
Academic librarians at play in the field of cheminformatics: building the case for chemistry research data management.
- Published in:
- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 10, p. 975, doi. 10.1007/s10822-014-9777-4
- By:
- Publication type:
- Article
The Royal Society of Chemistry and the delivery of chemistry data repositories for the community.
- Published in:
- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 10, p. 1023, doi. 10.1007/s10822-014-9784-5
- By:
- Publication type:
- Article
Nanocatalysis: A bibliometric analysis.
- Published in:
- Kinetics & Catalysis, 2014, v. 55, n. 1, p. 1, doi. 10.1134/S0023158414010194
- By:
- Publication type:
- Article
Oxygen potential of high-magnesium magmas.
- Published in:
- Doklady Earth Sciences, 2013, v. 448, n. 1, p. 149, doi. 10.1134/S1028334X12120185
- By:
- Publication type:
- Article
Dovetailing biology and chemistry: integrating the Gene Ontology with the ChEBI chemical ontology.
- Published in:
- BMC Genomics, 2013, v. 14, n. 1, p. 1, doi. 10.1186/1471-2164-14-513
- By:
- Publication type:
- Article