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International Chemical Identifier
The IUPAC
IUPAC
INTERNATIONAL CHEMICAL IDENTIFIER (INCHI /ˈɪntʃiː/ IN-chee or /ˈɪŋkiː/ ING-kee ) is a textual identifier for chemical substances , designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web. Initially developed by IUPAC (International Union of Pure and Applied Chemistry) and NIST (National Institute of Standards and Technology) from 2000 to 2005, the format and algorithms are non-proprietary. The continuing development of the standard has been supported since 2010 by the not-for-profit INCHI TRUST, of which IUPAC
IUPAC
is a member. The current software version is 1.05 and was released in January 2017. Prior to 1.04, the software was freely available under the open source LGPL license, but it now uses a custom license called IUPAC- InChI Trust License
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SHA-256
A 2011 attack breaks preimage resistance for 57 out of 80 rounds of SHA-512, and 52 out of 64 rounds for SHA-256. Pseudo-collision attack against up to 46 rounds of SHA-256. SHA-256 and SHA-512 are prone to length extension attacks . By guessing the hidden part of the state, length extension attacks on SHA-224 and SHA-384 succeed with probability 2-(256-224) = 2−32 > 2−224 and 2-(512-384) = 2−128 > 2−384 respectively. SHA-2 ( Secure Hash Algorithm 2 ) is a set of cryptographic hash functions designed by the United States
United States
National Security Agency
National Security Agency
(NSA) . Cryptographic hash functions are mathematical operations run on digital data; by comparing the computed "hash" (the output from execution of the algorithm) to a known and expected hash value, a person can determine the data's integrity
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Graphics Interchange Format
The GRAPHICS INTERCHANGE FORMAT (better known by its acronym GIF /ˈdʒɪf/ JIF or /ˈɡɪf/ GHIF ) is a bitmap image format that was developed by US-based software writer Steve Wilhite while working at the bulletin board service (BBS) provider CompuServe on June 15, 1987 and has since come into widespread usage on the World Wide Web due to its wide support and portability. The format supports up to 8 bits per pixel for each image, allowing a single image to reference its own palette of up to 256 different colors chosen from the 24-bit RGB color space. It also supports animations and allows a separate palette of up to 256 colors for each frame. These palette limitations make the GIF format less suitable for reproducing color photographs and other images with color gradients, but it is well-suited for simpler images such as graphics or logos with solid areas of color
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Protonation
In chemistry, PROTONATION is the addition of a proton (H+ ) to an atom , molecule , or ion , forming the conjugate acid . Some examples include * the protonation of water by sulfuric acid : H2SO4 + H2O ⇌ H3O+ + HSO− 4 * the protonation of isobutene in the formation of a carbocation : (CH3)2C=CH2 + HBF4 ⇌ (CH3)3C+ + BF− 4 * the protonation of ammonia in the formation of ammonium chloride from ammonia and hydrogen chloride : NH3(g ) + HCl(g ) → NH4Cl(s ) Protonation is a fundamental chemical reaction and is a step in many stoichiometric and catalytic processes . Some ions and molecules can undergo more than one protonation and are labeled polybasic, which is true of many biological macromolecules . Protonation and deprotonation (removal of proton) occur in most acid-base reactions ; they are the core of most acid-base reaction theories
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National Cancer Institute
The NATIONAL CANCER INSTITUTE (NCI) is part of the National Institutes of Health (NIH), which is one of eleven agencies that are part of the U.S. Department of Health and Human Services
U.S. Department of Health and Human Services
. The NCI coordinates the U.S. National Cancer
Cancer
Program and conducts and supports research, training, health information dissemination, and other activities related to the causes, prevention, diagnosis, and treatment of cancer; the supportive care of cancer patients and their families; and cancer survivorship. On April 1, 2015, Douglas Lowy, M.D. was named the Acting Director of NCI. On June 10, 2017, President Donald J
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Hash Function
A HASH FUNCTION is any function that can be used to map data of arbitrary size to data of fixed size. The values returned by a hash function are called HASH VALUES, HASH CODES, DIGESTS, or simply HASHES. One use is a data structure called a hash table , widely used in computer software for rapid data lookup. Hash functions accelerate table or database lookup by detecting duplicated records in a large file. An example is finding similar stretches in DNA sequences. They are also useful in cryptography . A cryptographic hash function allows one to easily verify that some input data maps to a given hash value, but if the input data is unknown, it is deliberately difficult to reconstruct it (or equivalent alternatives) by knowing the stored hash value. This is used for assuring integrity of transmitted data, and is the building block for HMACs , which provide message authentication
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Wildcard Character
In software , a WILDCARD CHARACTER is a kind of PLACEHOLDER represented by a single character , such as an asterisk (*), which can be interpreted as a number of literal characters or an empty string . It is often used in file searches so the full name need not be typed. CONTENTS * 1 Telecommunication
Telecommunication
* 2 Computing * 2.1 File
File
and directory patterns * 2.2 Databases * 2.3 Regular expressions * 3 See also * 4 References * 5 External links TELECOMMUNICATIONIn telecommunications , a wildcard is a character that may be substituted for any of a defined subset of all possible characters
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Software Developer
A SOFTWARE DEVELOPER is a person concerned with facets of the software development process, including the research, design, programming , and testing of computer software . Other job titles which are often used with similar meanings are programmer , software analyst , and software engineer . According to developer Eric Sink, the differences between system design, software development , and programming are more apparent. Already in the current market place there can be found a segregation between programmers and developers, being that one who implements is not the same as the one who designs the class structure or hierarchy. Even more so that developers become software architects or systems architects , those who design the multi-leveled architecture or component interactions of a large software system. In a large company, there may be employees whose sole responsibility consists of only one of the phases above
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Electrical Charge
ELECTRIC CHARGE is the physical property of matter that causes it to experience a force when placed in an electromagnetic field . There are two types of electric charges: positive and negative (commonly carried by protons and electrons respectively). Like charges repel and unlike attract. An absence of net charge is referred to as neutral. An object is negatively charged if it has an excess of electrons , and is otherwise positively charged or uncharged. The SI derived unit of electric charge is the coulomb (C). In electrical engineering , it is also common to use the ampere-hour (Ah), and, in chemistry , it is common to use the elementary charge (e) as a unit. The symbol Q often denotes charge. Early knowledge of how charged substances interact is now called classical electrodynamics , and is still accurate for problems that don't require consideration of quantum effects
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Stereochemical
STEREOCHEMISTRY, a subdiscipline of chemistry , involves the study of the relative spatial arrangement of atoms that form the structure of molecules and their manipulation. The study of stereochemistry focuses on stereoisomers , which by definition have the same molecular formula and sequence of bonded atoms (constitution), but differ in the three-dimensional orientations of their atoms in space. For this reason, it is also known as 3D chemistry—the prefix "stereo-" means "three-dimensionality". An important branch of stereochemistry is the study of chiral molecules. Stereochemistry
Stereochemistry
spans the entire spectrum of organic , inorganic , biological , physical and especially supramolecular chemistry
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European Bioinformatics Institute
The EUROPEAN BIOINFORMATICS INSTITUTE (EMBL-EBI) is a centre for research and services in bioinformatics , and is part of European Molecular Biology Laboratory (EMBL). CONTENTS * 1 About * 2 Funding * 3 Resources at the EMBL-EBI * 4 Other bioinformatics organisations * 5 References * 6 External links ABOUTThe roots of the EMBL-EBI lie in the EMBL Nucleotide Sequence Data Library (now known as EMBL-Bank), which was established in 1980 at the EMBL laboratories in Heidelberg, Germany and was the world's first nucleotide sequence database. The original goal was to establish a central computer database of DNA sequences, to supplement sequences submitted to journals. What began as a modest task of abstracting information from literature soon became a major database activity with direct electronic submissions of data and the need for highly skilled informatics staff
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ChemSpider
CHEMSPIDER is a database of chemicals . ChemSpider
ChemSpider
is owned by the Royal Society of Chemistry . CONTENTS * 1 Database * 2 Crowdsourcing * 3 Searching * 4 Chemistry document mark-up * 5 History * 6 Services * 6.1 SyntheticPages * 6.2 Open PHACTS * 7 See also * 8 References DATABASEThe database contains information on more than 63 million molecules from over 280 data sources including: * EPA DSSTox * U.S
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ChEMBL
CH EMBL or CHEMBLDB is a manually curated chemical database of bioactive molecules with drug-like properties. It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory ( EMBL ), based at the Wellcome Trust Genome Campus , Hinxton, UK. The database, originally known as StARlite, was developed by a biotechnology company called Inpharmatica Ltd. later acquired by Galapagos NV . The data was acquired for EMBL in 2008 with an award from The Wellcome Trust , resulting in the creation of the ChEMBL chemogenomics group at EMBL-EBI, led by John Overington. CONTENTS * 1 Scope and access * 2 Associated resources * 3 See also * 4 References * 5 External links SCOPE AND ACCESSThe Ch EMBL database contains compound bioactivity data against drug targets. Bioactivity is reported in Ki, Kd, IC50, and EC50
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Golm Metabolome Database
The GOLM METABOLOME DATABASE (GMD) is a gas chromatography (GC) – mass spectrometry (MS) reference library dedicated to metabolite profiling experiments and comprises mass spectral and retention index (RI) information for non-annotated mass spectral tags (MSTs, mass spectral information with retention time attached indices) together with data of a multitude of already identified metabolites and reference substances. The GMD is hosted at the Max Planck Institute of Molecular Plant Physiology in Golm district of Potsdam , Germany. CONTENTS * 1 Background * 2 See also * 3 References * 4 External links BACKGROUNDGas chromatography (GC) coupled to mass spectrometry (MS) is one of the most widespread routine technologies applied to the large scale screening and discovery of novel biomarkers in metabolomics
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OpenPHACTS
OPEN PHACTS (Open Pharmacological Concept Triple Store ) is a European initiative public–private partnership between academia, publishers, enterprises, pharmaceutical companies and other organisations working to enable better, cheaper and faster drug discovery . It has been funded by the Innovative Medicines Initiative , selected as part of three projects to "design methods for common standards and sharing of data for more efficient drug development and patient treatment in the future"
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Organometallic
ORGANOMETALLIC CHEMISTRY is the study of chemical compounds containing at least one chemical bond between a carbon atom of an organic compound and a metal , including alkaline, alkaline earth, transition metal, and other cases. Moreover, some related compounds such as transition metal hydrides and metal phosphine complexes are often included in discussions of organometallic compounds. The field of organometallic chemistry combines aspects of traditional inorganic and organic chemistry . Organometallic compounds are widely used both stoichiometrically in research and industrial chemical reactions, as well as in the role of catalysts to increase the rates of such reactions (e.g., as in uses of homogeneous catalysis ), where target molecules include polymers, pharmaceuticals, and many other types of practical products
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