Journal ArticleDOI
ChemSpider:: An Online Chemical Information Resource
TLDR
ChemSpider is a free, online chemical database offering access to physical and chemical properties, molecular structure, spectral data, synthetic methods, safety information, and nomenclature for almost 25 million unique chemical compounds sourced and linked to almost 400 separate data sources on the Web.Abstract:
ChemSpider is a free, online chemical database offering access to physical and chemical properties, molecular structure, spectral data, synthetic methods, safety information, and nomenclature for almost 25 million unique chemical compounds sourced and linked to almost 400 separate data sources on the Web. ChemSpider is quickly becoming the primary chemistry Internet portal and it can be very useful for both chemical teaching and research.read more
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Journal ArticleDOI
Using Internet Databases for Food Science Organic Chemistry Students To Discover Chemical Compound Information
TL;DR: This Activity provides a brief introduction to the application of chemical information resources with a focus on conducting structure-based searches in internet databases.
Journal ArticleDOI
A picture is worth a thousand words: applying natural language processing tools for creating a quantum materials database map
TL;DR: The authors demonstrate how the use of NLP methods on only the figure captions without having to navigate the entire text of a document can provide an accelerated assessment of the literature in a given domain.
Journal ArticleDOI
Industrial applications of in silico ADMET.
Bernd Beck,Tim Geppert +1 more
TL;DR: Some of the available methods and best practice for the different stages of the in silico model building process are described and some more recent developments, like automated model building and the prediction probability are described.
Journal ArticleDOI
The Relationship between Wormlike Micelle Scission Free Energy and Micellar Composition: The Case of Sodium Lauryl Ether Sulfate and Cocamidopropyl Betaine
TL;DR: This work uses a recently published method to directly calculate the scission energy of micelles composed of monodisperse sodium laurylethersulphate (SLESnEO), an anionic surfactant and extends the analysis to look at the effect of a common co-surfactant, cocamidopropyl betaine (CAPB), and finds that its addition stabilises wormlike micells at a lower salt concentration.
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Novel and Transgressive Salinity Tolerance in Recombinant Inbred Lines of Rice Created by Physiological Coupling-Uncoupling and Network Rewiring Effects
Isaiah C. M. Pabuayon,Ai Kitazumi,Kevin R Cushman,Rakesh Singh,Glenn B. Gregorio,Balpreet K. Dhatt,Masoud Zabet-Moghaddam,Harkamal Walia,Benildo G. de los Reyes +8 more
TL;DR: In this article, a system-level profiling of the IR29 × Pokkali recombinant inbred population of rice was conducted to identify transgressive individuals in terms of stress penalty to growth.
References
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Journal ArticleDOI
The Story Of Stuff
TL;DR: The Story of Stuff as mentioned in this paper is the story of stuff from an article that appeared on the front page of last Monday's (May 11) New York Times, with the headline "The Story Of Stuff".
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Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining
Kristina Hettne,Kristina Hettne,Antony J. Williams,Erik M. van Mulligen,Jos C. S. Kleinjans,Valery Tkachenko,Jan A. Kors +6 more
TL;DR: The ChemSpider dictionary achieved the best precision but the Chemlist dictionary had a higher recall and the best F-score; rule-based filtering and disambiguation is necessary to achieve a high precision for both the automatically generated and the manually curated dictionary.
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A Scientific Milestone
TL;DR: It took CAS only nine months to register the last 10 million substances, and in those nine months, CAS has registered at least 25 unique substances per minute.