Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database
出版年份 2018 全文链接
标题
Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database
作者
关键词
Crystallography Open Database, Open access to scientific data, Crystal structure database, Molecular structure, SMILES, Substructure search
出版物
Journal of Cheminformatics
Volume 10, Issue 1, Pages -
出版商
Springer Nature
发表日期
2018-05-18
DOI
10.1186/s13321-018-0279-6
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
- (2017) Egon L. Willighagen et al. Journal of Cheminformatics
- The Cambridge Structural Database
- (2016) Colin R. Groom et al. Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials
- PubChem Substance and Compound databases
- (2015) Sunghwan Kim et al. NUCLEIC ACIDS RESEARCH
- InChI, the IUPAC International Chemical Identifier
- (2015) Stephen R Heller et al. Journal of Cheminformatics
- Computing stoichiometric molecular composition from crystal structures
- (2015) Saulius Gražulis et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- Crystal structure determination and refinementviaSIR2014
- (2015) Maria Cristina Burla et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- The Cambridge Structural Database in Retrospect and Prospect
- (2014) Colin R. Groom et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- The Protein Data Bank archive as an open data resource
- (2014) Helen M. Berman et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings
- (2013) George F. S. Whitehead et al. Chemical Science
- JSME: a free molecule editor in JavaScript
- (2013) Bruno Bienfait et al. Journal of Cheminformatics
- WinGXandORTEP for Windows: an update
- (2012) Louis J. Farrugia JOURNAL OF APPLIED CRYSTALLOGRAPHY
- Deducing chemical structure from crystallographically determined atomic coordinates
- (2011) Ian J. Bruno et al. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
- Chemical Name to Structure: OPSIN, an Open Source Solution
- (2011) Daniel M. Lowe et al. Journal of Chemical Information and Modeling
- Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration
- (2011) Saulius Gražulis et al. NUCLEIC ACIDS RESEARCH
- CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures
- (2011) Axel Drefahl Journal of Cheminformatics
- Open Babel: An open chemical toolbox
- (2011) Noel M O'Boyle et al. Journal of Cheminformatics
- ChemSpider: An Online Chemical Information Resource
- (2010) Harry E. Pence et al. JOURNAL OF CHEMICAL EDUCATION
- Crystallography Open Database – an open-access collection of crystal structures
- (2009) Saulius Gražulis et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- Chemical Entities of Biological Interest: an update
- (2009) Paula de Matos et al. NUCLEIC ACIDS RESEARCH
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started