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Code Co-op is the peer-to-peer revision control system made by Reliable Software.
Distinguishing features
Code Co-op is a distributed revision control system of the replicated type.
It uses peer-to-peer architecture to share projects among developers and to control changes to files | https://huggingface.co/datasets/fmars/wiki_stem |
CodeIgniter is an open-source software rapid development web framework, for use in building dynamic web sites with PHP.
Popularity
CodeIgniter is loosely based on the popular model–view–controller (MVC) development pattern. While controller classes are a necessary part of development under CodeIgniter, models and views are optional | https://huggingface.co/datasets/fmars/wiki_stem |
CodeMirror is a JavaScript component that provides a code editor in the browser. It has a rich programming API and a focus on extensibility.
History
The first version of the editor was written early 2007, for the console in the Eloquent JavaScript website | https://huggingface.co/datasets/fmars/wiki_stem |
CoffeeScript is a programming language that compiles to JavaScript. It adds syntactic sugar inspired by Ruby, Python, and Haskell in an effort to enhance JavaScript's brevity and readability. Specific additional features include list comprehension and destructuring assignment | https://huggingface.co/datasets/fmars/wiki_stem |
Compiz () is a compositing window manager for the X Window System, using 3D graphics hardware to create fast compositing desktop effects for window management. Effects, such as a minimization animation or a cube workspace, are implemented as loadable plugins. Because it conforms to the ICCCM conventions, Compiz can be used as a substitute for the default Mutter or Metacity, when using GNOME Panel, or KWin in KDE Plasma Workspaces | https://huggingface.co/datasets/fmars/wiki_stem |
CppCMS is an open-source web application framework for the C++ programming language developed by Artyom Beilis. The primary goal of CppCMS is building performance-demanding web applications. It may also be used for embedded web applications for consumer devices (such as administration consoles for routers, or smart devices) | https://huggingface.co/datasets/fmars/wiki_stem |
The Croquet Project is a software project that preceded Croquet, and was intended to promote the continued development of the Croquet open-source software development kit to create and deliver collaborative multi-user online applications.
Implemented in Squeak Smalltalk, Croquet supports communication, collaboration, resource sharing, and synchronous computation among multiple users. Applications created with the Croquet software development kit (SDK) can be used to support highly scalable collaborative data visualization, virtual learning and problem solving environments, 3D wikis, online gaming environments (massively multiplayer online role-playing games (MMORPGs), and privately maintained or interconnected multiuser virtual environments | https://huggingface.co/datasets/fmars/wiki_stem |
In Unix computing, CTWM (Claude's Tab Window Manager) is a stacking window manager for the X Window System in the twm family of window managers. It was created in 1992 by Claude Lecommandeur from the source code for twm, which he extended to allow for virtual desktops ("workspaces" in CTWM's terminology. )
Features
Features of the CTWM window manager include:
Stacking windows
Written in C
Support for up to 32 virtual desktops
Advanced icon management
Animated icons and backgrounds
Customizable
3d titles and borders
Freely distributable under the MIT License
Basic EWMH support (as of 4 | https://huggingface.co/datasets/fmars/wiki_stem |
cURL (pronounced like "curl", UK: [kəːl], US: [kɝl]) is a computer software project providing a library (libcurl) and command-line tool (curl) for transferring data using various network protocols. The name stands for "Client for URL".
History
cURL was first released in 1996 | https://huggingface.co/datasets/fmars/wiki_stem |
Dafny is an imperative and functional compiled language that compiles to other programming languages, such as C#, Java, JavaScript, Go and Python. It supports formal specification through preconditions, postconditions, loop invariants, loop variants, termination specifications and read/write framing specifications. The language combines ideas from the functional and imperative paradigms; it includes support for object-oriented programming | https://huggingface.co/datasets/fmars/wiki_stem |
Dapr (Distributed Application Runtime) is a free and open source runtime system designed to support cloud native and serverless computing. Its initial release supported SDKs and APIs for Java, . NET, Python, and Go, and targeted the Kubernetes cloud deployment system | https://huggingface.co/datasets/fmars/wiki_stem |
EAS3 (EAS = Ein-Ausgabe-System) is a software toolkit for reading and writing structured binary data with geometry information and for postprocessing of these data. It is meant to exchange floating-point data according to IEEE standard between different computers, to modify them or to convert them into other file formats. It can be used for all kinds of structured data sets | https://huggingface.co/datasets/fmars/wiki_stem |
Ember. js is an open-source JavaScript web framework that utilizes a component-service pattern. It allows developers to create scalable single-page web applications by incorporating common idioms, best practices, and patterns from other single-page-app ecosystem patterns into the framework | https://huggingface.co/datasets/fmars/wiki_stem |
Emmet (formerly Zen Coding) is a set of plug-ins for text editors that allows for high-speed coding and editing in HTML, XML, XSLT, and other structured code formats via content assist. The project was started by Vadim Makeev in 2008 and continues to be actively developed by Sergey Chikuyonok and Emmet users. Since 2015, Mikael Geletsyan is responsible for UX at Emmet | https://huggingface.co/datasets/fmars/wiki_stem |
Eulim or ilm is a chemistry library written in Ruby under the MIT license. It supports the calculation of molecular mass of compound, balancing chemical equations, efficient handling of states of chemical species and many more things.
Example
External links
Eulim source code
RubyGems Page
Documentation
References
"eulim | RubyGems | https://huggingface.co/datasets/fmars/wiki_stem |
Expat is a stream-oriented XML 1. 0 parser library, written in C. As one of the first available open-source XML parsers, Expat has found a place in many open-source projects | https://huggingface.co/datasets/fmars/wiki_stem |
XDP (eXpress Data Path) is an eBPF-based high-performance data path used to send and receive network packets at high rates by bypassing most of the operating system networking stack. It is merged in the Linux kernel since version 4. 8 | https://huggingface.co/datasets/fmars/wiki_stem |
F# (pronounced F sharp) is a functional-first, general-purpose, strongly typed, multi-paradigm programming language that encompasses functional, imperative, and object-oriented programming methods. It is most often used as a cross-platform Common Language Infrastructure (CLI) language on . NET, but can also generate JavaScript and graphics processing unit (GPU) code | https://huggingface.co/datasets/fmars/wiki_stem |
Firo, formerly known as Zcoin, is a cryptocurrency aimed at using cryptography to provide better privacy for its users compared to other cryptocurrencies such as Bitcoin.
History
Zcoin
Creation
In late 2014, Poramin Insom, a student in Masters in Security Informatics from Johns Hopkins University wrote a paper on implementing the zerocoin protocol into a cryptocurrency with Matthew Green as faculty member. The project to create a standalone cryptocurrency implementing the Zerocoin protocol was named "Moneta" | https://huggingface.co/datasets/fmars/wiki_stem |
Flux is an open-source machine-learning software library and ecosystem written in Julia. Its current stable release is v0. 12 | https://huggingface.co/datasets/fmars/wiki_stem |
Foundation is a free responsive front-end framework, providing a responsive grid and HTML and CSS UI components, templates, and code snippets, including typography, forms, buttons, navigation and other interface elements, as well as optional functionality provided by JavaScript extensions. Foundation is an open source project, and was formerly maintained by ZURB. Since 2019, Foundation has been maintained by volunteers | https://huggingface.co/datasets/fmars/wiki_stem |
FreeGLUT is an open-source alternative to the OpenGL Utility Toolkit (GLUT) library. GLUT (and hence FreeGLUT) allows the user to create and manage windows containing OpenGL contexts on a wide range of platforms and also read the mouse, keyboard and joystick functions. FreeGLUT is intended to be a full replacement for GLUT, and has only a few differences | https://huggingface.co/datasets/fmars/wiki_stem |
FuelPHP is an open-source web application framework written in PHP which implements the HMVC pattern.
History
The FuelPHP project commenced in October 2010, with its major contributors being Harro Verton, Jelmer Schreuder, Dan Horrigan, Philip Sturgeon and Frank de Jonge. In November 2013, Steve West joined the development team | https://huggingface.co/datasets/fmars/wiki_stem |
GameMonkey Script is a small, cross-platform scripting language designed for embedding into games. GameMonkey bears many similarities to Lua, except the syntax is more similar to that of C.
History
GameMonkey Script was written in 2002 by Matthew Riek and Greg Douglas as part of a closed-source project for Auran Development | https://huggingface.co/datasets/fmars/wiki_stem |
The Geospatial Data Abstraction Library (GDAL) is a computer software library for reading and writing raster and vector geospatial data formats (e. g. shapefile), and is released under the permissive X/MIT style free software license by the Open Source Geospatial Foundation | https://huggingface.co/datasets/fmars/wiki_stem |
GGPO (Good Game Peace Out) is middleware designed to help create a near-lagless online experience for various emulated arcade games and fighting games. The program was created by Tony Cannon, co-founder of fighting game community site Shoryuken and the popular Evolution Championship Series.
History
Before its creation, GGPO creator Tony Cannon was completely dissatisfied with the 2006 Xbox 360 re-release of Street Fighter II: Hyper Fighting after experiencing its criticized online capabilities | https://huggingface.co/datasets/fmars/wiki_stem |
Gollum is a wiki software using git as the back end storage mechanism, and written mostly in Ruby. It started life as the wiki system used by the GitHub web hosting system. Although the open source Gollum project and the software currently used to run GitHub wikis have diverged from one another, Gollum strives to maintain compatibility with the latter | https://huggingface.co/datasets/fmars/wiki_stem |
H2O is a free and open-source web server software.
It is written in C, and is distributed under the terms of the MIT License.
Overview
It is designed on the presence of HTTP/2 and TLS, and maximizing the use of HTTP/2 technologies such as prioritization and server push, it achieves significantly better performance than conventional web server software such as nginx | https://huggingface.co/datasets/fmars/wiki_stem |
Haml (HTML Abstraction Markup Language) is a templating system that is designed to avoid writing inline code in a web document and make the HTML cleaner. Haml gives you the flexibility to have some dynamic content in HTML. Similar to other template systems like eRuby, Haml also embeds some code that gets executed during runtime and generates HTML code in order to provide some dynamic content | https://huggingface.co/datasets/fmars/wiki_stem |
IRC It, or ii is a free and open-source Unix IRC client written in C by the suckless. org community.
From the readme:
ii is a minimalist FIFO and filesystem-based IRC client | https://huggingface.co/datasets/fmars/wiki_stem |
Infer. NET is a free and open source . NET software library for machine learning | https://huggingface.co/datasets/fmars/wiki_stem |
Ionic is a complete open-source SDK for hybrid mobile app development created by Max Lynch, Ben Sperry, and Adam Bradley of Drifty Co. in 2013. The original version was released in 2013 and built on top of AngularJS and Apache Cordova | https://huggingface.co/datasets/fmars/wiki_stem |
The IUP Portable User Interface is a computer software development kit that provides a portable, scriptable toolkit to build graphical user interfaces (GUIs) using the programming languages C, Perl, Lua, Nim and Zig, among others. This allows rapid, zero-compile prototyping and refinement of deployable GUI applications.
IUP's purpose is to allow programs user interface to run in different systems in unmodified form | https://huggingface.co/datasets/fmars/wiki_stem |
Jenkins is an open source automation server. It helps automate the parts of software development related to building, testing, and deploying, facilitating continuous integration and continuous delivery. It is a server-based system that runs in servlet containers such as Apache Tomcat | https://huggingface.co/datasets/fmars/wiki_stem |
jQuery is a JavaScript library designed to simplify HTML DOM tree traversal and manipulation, as well as event handling, CSS animation, and Ajax. It is free, open-source software using the permissive MIT License. As of Aug 2022, jQuery is used by 77% of the 10 million most popular websites | https://huggingface.co/datasets/fmars/wiki_stem |
Alien: Isolation is a 2014 survival horror game developed by Creative Assembly and published by Sega for PlayStation 3, PlayStation 4, Windows, Xbox 360, and Xbox One. Based on the Alien film series, the game is set 15 years after the events of the original 1979 film, and follows engineer Amanda Ripley, daughter of Alien protagonist Ellen Ripley, as she investigates the disappearance of her mother aboard the space station Sevastopol. Once inside, Amanda discovers that the station has fallen into disarray due to an Alien creature on the loose and must find a way to escape | https://huggingface.co/datasets/fmars/wiki_stem |
Armored Core VI: Fires of Rubicon is a mecha-based vehicular combat game developed by FromSoftware and published by Bandai Namco Entertainment. The first entry in the Armored Core series since Armored Core: Verdict Day (2013), it will be released for PlayStation 4, PlayStation 5, Windows, Xbox One, and Xbox Series X/S on August 25, 2023.
Gameplay
Armored Core VI is a mecha-based vehicular combat game in which players pilot mechs called Armored Cores, which can be customized using parts to upgrade and fine-tune their power | https://huggingface.co/datasets/fmars/wiki_stem |
Tip-enhanced Raman spectroscopy (TERS) is a variant of surface-enhanced Raman spectroscopy (SERS) that combines scanning probe microscopy with Raman spectroscopy. High spatial resolution chemical imaging is possible via TERS, with routine demonstrations of nanometer spatial resolution under ambient laboratory conditions, or better at ultralow temperatures and high pressure.
The maximum resolution achievable using an optical microscope, including Raman microscopes, is limited by the Abbe limit, which is approximately half the wavelength of the incident light | https://huggingface.co/datasets/fmars/wiki_stem |
This is a timeline of quantum computing.
1960s
1968
Stephen Wiesner invented conjugate coding (published in ACM SIGACT News 15(1):78–88).
1970s
1970
James Park articulated the no-cloning theorem | https://huggingface.co/datasets/fmars/wiki_stem |
The UK National Quantum Technologies Programme (UKNQTP) is a programme set up by the UK government to translate academic work on quantum mechanics, and the effects of quantum superposition and quantum entanglement into new products and services. It brings UK physicists and engineers together with companies and entrepreneurs who have an interest in commercialising the technology.
The "second quantum revolution"
The "second quantum revolution", or "quantum 2 | https://huggingface.co/datasets/fmars/wiki_stem |
The ZX-calculus is a rigorous graphical language for reasoning about linear maps between qubits, which are represented as string diagrams called ZX-diagrams. A ZX-diagram consists of a set of generators called spiders that represent specific tensors. These are connected together to form a tensor network similar to Penrose graphical notation | https://huggingface.co/datasets/fmars/wiki_stem |
Carbohydrate–protein interactions are the intermolecular and intramolecular interactions between protein and carbohydrate moieties. These interactions form the basis of specific recognition of carbohydrates by lectins. Carbohydrates are important biopolymers and have a variety of functions | https://huggingface.co/datasets/fmars/wiki_stem |
Pyranose is a collective term for saccharides that have a chemical structure that includes a six-membered ring consisting of five carbon atoms and one oxygen atom. There may be other carbons external to the ring. The name derives from its similarity to the oxygen heterocycle pyran, but the pyranose ring does not have double bonds | https://huggingface.co/datasets/fmars/wiki_stem |
A reducing sugar is any sugar that is capable of acting as a reducing agent. In an alkaline solution, a reducing sugar forms some aldehyde or ketone, which allows it to act as a reducing agent, for example in Benedict's reagent. In such a reaction, the sugar becomes a carboxylic acid | https://huggingface.co/datasets/fmars/wiki_stem |
Rhamnolipids are a class of glycolipid produced by Pseudomonas aeruginosa, amongst other organisms, frequently cited as bacterial surfactants. They have a glycosyl head group, in this case a rhamnose moiety, and a 3-(hydroxyalkanoyloxy)alkanoic acid (HAA) fatty acid tail, such as 3-hydroxydecanoic acid. Specifically there are two main classes of rhamnolipids: mono-rhamnolipids and di-rhamnolipids, which consist of one or two rhamnose groups respectively | https://huggingface.co/datasets/fmars/wiki_stem |
In biochemistry, saccharification is a term for denoting any chemical change wherein a monosaccharide molecule remains intact after becoming unbound from another saccharide.
For example, when a carbohydrate is broken into its component sugar molecules by hydrolysis (e. g | https://huggingface.co/datasets/fmars/wiki_stem |
A sophorolipid is a surface-active glycolipid compound that can be synthesized by a selected number of non-pathogenic yeast species. They are potential bio-surfactants due to their biodegradability and low eco-toxicity.
Structure and properties
Sophorolipids are glycolipids consisting of a hydrophobic fatty acid tail of 16 or 18 carbon atoms and a hydrophilic carbohydrate head sophorose, a glucose-derived di-saccharide with an unusual β-1,2 bond and can be acetylated on the 6′- and/or 6′′- positions | https://huggingface.co/datasets/fmars/wiki_stem |
The Staudinger reaction is a chemical reaction of an organic azide with a phosphine or phosphite produces an iminophosphorane. The reaction was discovered by and named after Hermann Staudinger. The reaction follows this stoichiometry:
R3P + R'N3 → R3P=NR' + N2
Staudinger reduction
The Staudinger reduction is conducted in two steps | https://huggingface.co/datasets/fmars/wiki_stem |
Sucrose esters or sucrose fatty acid esters are a group of non-naturally occurring surfactants chemically synthesized from the esterification of sucrose and fatty acids (or glycerides). This group of substances is remarkable for the wide range of hydrophilic-lipophilic balance (HLB) that it covers. The polar sucrose moiety serves as a hydrophilic end of the molecule, while the long fatty acid chain serves as a lipophilic end of the molecule | https://huggingface.co/datasets/fmars/wiki_stem |
Carbohydrate synthesis is a sub-field of organic chemistry concerned specifically with the generation of natural and unnatural carbohydrate structures. This can include the synthesis of monosaccharide residues or structures containing more than one monosaccharide, known as oligosaccharides.
Background
Generally speaking, carbohydrates can be classified into two groups, simple sugars, and complex carbohydrates | https://huggingface.co/datasets/fmars/wiki_stem |
Chemical physics is a subdiscipline of chemistry and physics that investigates physicochemical phenomena using techniques from atomic and molecular physics and condensed matter physics; it is the branch of physics that studies chemical processes from the point of view of physics. While at the interface of physics and chemistry, chemical physics is distinct from physical chemistry in that it focuses more on the characteristic elements and theories of physics. Meanwhile, physical chemistry studies the physical nature of chemistry | https://huggingface.co/datasets/fmars/wiki_stem |
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form | https://huggingface.co/datasets/fmars/wiki_stem |
Dynamic nuclear polarization (DNP) results from transferring spin polarization from electrons to nuclei, thereby aligning the nuclear spins to the extent that electron spins are aligned. Note that the alignment of electron spins at a given magnetic field and temperature is described by the Boltzmann distribution under the thermal equilibrium. It is also possible that those electrons are aligned to a higher degree of order by other preparations of electron spin order such as: chemical reactions (leading to Chemical-Induced DNP, CIDNP), optical pumping and spin injection | https://huggingface.co/datasets/fmars/wiki_stem |
In physics, an effective field theory is a type of approximation, or effective theory, for an underlying physical theory, such as a quantum field theory or a statistical mechanics model. An effective field theory includes the appropriate degrees of freedom to describe physical phenomena occurring at a chosen length scale or energy scale, while ignoring substructure and degrees of freedom at shorter distances (or, equivalently, at higher energies). Intuitively, one averages over the behavior of the underlying theory at shorter length scales to derive what is hoped to be a simplified model at longer length scales | https://huggingface.co/datasets/fmars/wiki_stem |
In molecular physics/nanotechnology, electrostatic deflection is the deformation of a beam-like structure/element bent by an electric field (Fig. 1). It can be due to interaction between electrostatic fields and net charge or electric polarization effects | https://huggingface.co/datasets/fmars/wiki_stem |
High-entropy alloys (HEAs) are alloys that are formed by mixing equal or relatively large proportions of (usually) five or more elements. Prior to the synthesis of these substances, typical metal alloys comprised one or two major components with smaller amounts of other elements. For example, additional elements can be added to iron to improve its properties, thereby creating an iron-based alloy, but typically in fairly low proportions, such as the proportions of carbon, manganese, and others in various steels | https://huggingface.co/datasets/fmars/wiki_stem |
First demonstrated in 2008, Liquid-phase exfoliation (LPE) is a solution-processing method which is used to convert layered crystals into 2-dimensional nanosheets in large quantities. It is currently one of the pillar methods for producing 2D nanosheets. According to IDTechEx, the family of exfoliation techniques which are directly or indirectly descended from LPE now make up over 60% of global graphene production capacity | https://huggingface.co/datasets/fmars/wiki_stem |
In physical chemistry, the McConnell equation gives the probability of an unpaired electron in an in aromatic radical compound (such as benzene radical anion
C
6
H
6
−
{\displaystyle C_{6}H_{6}^{-}}
) being on a particular atom. It relates this probability, known as the "spin density", to its proportional dependence on the hyperfine splitting constant.
The equation is
a
=
Q
ρ
{\displaystyle a=Q\rho }
where
a
{\textstyle a}
is the hyperfine splitting constant,
ρ
{\textstyle \rho }
is the spin density, and
Q
{\textstyle Q}
is an empirical constant that can range from 2 | https://huggingface.co/datasets/fmars/wiki_stem |
A molecular beam is produced by allowing a gas at higher pressure to expand through a small orifice into a chamber at lower pressure to form a beam of particles (atoms, free radicals, molecules or ions) moving at approximately equal velocities, with very few collisions between the particles. Molecular beams are useful for fabricating thin films in molecular beam epitaxy and artificial structures such as quantum wells, quantum wires, and quantum dots. Molecular beams have also been applied as crossed molecular beams | https://huggingface.co/datasets/fmars/wiki_stem |
Molecular gyroscopes are chemical compounds or supramolecular complexes containing a rotor that moves freely relative to a stator, and therefore act as gyroscopes. Though any single bond or triple bond permits a chemical group to freely rotate, the compounds described as gyroscopes may protect the rotor from interactions, such as in a crystal structure with low packing density or by physically surrounding the rotor avoiding steric contact. A qualitative distinction can be made based on whether the activation energy needed to overcome rotational barriers is higher than the available thermal energy | https://huggingface.co/datasets/fmars/wiki_stem |
Nonadiabatic transition state theory (NA-TST) is a powerful tool to predict rates of chemical reactions from a computational standpoint. NA-TST has been introduced in 1988 by Prof. J | https://huggingface.co/datasets/fmars/wiki_stem |
The nuclear Overhauser effect (NOE) is the transfer of nuclear spin polarization from one population of spin-active nuclei (e. g. 1H, 13C, 15N etc | https://huggingface.co/datasets/fmars/wiki_stem |
Photofragment ion imaging or, more generally, Product Imaging is an experimental technique for making measurements of the velocity of product molecules or particles following a chemical reaction or the photodissociation of a parent molecule. The method uses a two-dimensional detector, usually a microchannel plate, to record the arrival positions of state-selected ions created by resonantly enhanced multi-photon ionization (REMPI). The first experiment using photofragment ion imaging was performed by David W Chandler and Paul L Houston in 1987 on the phototodissociation dynamics of methyl iodide (iodomethane, CH3I) | https://huggingface.co/datasets/fmars/wiki_stem |
A quantum solvent is essentially a superfluid (aka a quantum liquid) used to dissolve another chemical species. Any superfluid can theoretically act as a quantum solvent, but in practice the only viable superfluid medium that can currently be used is helium-4, and it has been successfully accomplished in controlled conditions. Such solvents are currently under investigation for use in spectroscopic techniques in the field of analytical chemistry, due to their superior kinetic properties | https://huggingface.co/datasets/fmars/wiki_stem |
The reactive empirical bond-order (REBO) model is a function for calculating the potential energy of covalent bonds and the interatomic force. In this model, the total potential energy of system is a sum of nearest-neighbour pair interactions which depend not only on the distance between atoms but also on their local atomic environment. A parametrized bond order function was used to describe chemical pair bonded interactions | https://huggingface.co/datasets/fmars/wiki_stem |
The rotating-wave approximation is an approximation used in atom optics and magnetic resonance. In this approximation, terms in a Hamiltonian that oscillate rapidly are neglected. This is a valid approximation when the applied electromagnetic radiation is near resonance with an atomic transition, and the intensity is low | https://huggingface.co/datasets/fmars/wiki_stem |
In quantum mechanics, a rotational transition is an abrupt change in angular momentum. Like all other properties of a quantum particle, angular momentum is quantized, meaning it can only equal certain discrete values, which correspond to different rotational energy states. When a particle loses angular momentum, it is said to have transitioned to a lower rotational energy state | https://huggingface.co/datasets/fmars/wiki_stem |
Rotational–vibrational spectroscopy is a branch of molecular spectroscopy concerned with infrared and Raman spectra of molecules in the gas phase. Transitions involving changes in both vibrational and rotational states can be abbreviated as rovibrational (or ro-vibrational) transitions. When such transitions emit or absorb photons (electromagnetic radiation), the frequency is proportional to the difference in energy levels and can be detected by certain kinds of spectroscopy | https://huggingface.co/datasets/fmars/wiki_stem |
The Rice–Ramsperger–Kassel–Marcus (RRKM) theory is a theory of chemical reactivity. It was developed by Rice and Ramsperger in 1927 and Kassel in 1928 (RRK theory) and generalized (into the RRKM theory) in 1952 by Marcus who took the transition state theory developed by Eyring in 1935 into account. These methods enable the computation of simple estimates of the unimolecular reaction rates from a few characteristics of the potential energy surface | https://huggingface.co/datasets/fmars/wiki_stem |
Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, and molecule activation.
Overview
Theoretical chemistry unites principles and concepts common to all branches of chemistry. Within the framework of theoretical chemistry, there is a systematization of chemical laws, principles and rules, their refinement and detailing, the construction of a hierarchy | https://huggingface.co/datasets/fmars/wiki_stem |
Cheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with computer and information science techniques—so called "in silico" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such in silico techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in structure-based drug design. The methods can also be used in chemical and allied industries, and such fields as environmental science and pharmacology, where chemical processes are involved or studied | https://huggingface.co/datasets/fmars/wiki_stem |
The Analytical Information Markup Language (AnIML) is an open ASTM XML standard for storing and sharing any analytical chemistry and biological data.
AnIML and FAIR data
A main reason of using AnIML is that FAIR data (Findable, Accessible, Interoperable and Reusable) standards are automatically implemented. As AnIML's structure is human-readable, Accessibility is given | https://huggingface.co/datasets/fmars/wiki_stem |
A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures, spectra, reactions and syntheses, and thermophysical data.
Types of chemical databases
Bioactivity database
Bioactivity databases correlate structures or other chemical information to bioactivity results taken from bioassays in literature, patents, and screening programs | https://huggingface.co/datasets/fmars/wiki_stem |
A chemical graph generator is a software package to generate computer representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics. Chemical graph generators are used in areas such as virtual library generation in drug design, in molecular design with specified properties, called inverse QSAR/QSPR, as well as in organic synthesis design, retrosynthesis or in systems for computer-assisted structure elucidation (CASE) | https://huggingface.co/datasets/fmars/wiki_stem |
A chemical library or compound library is a collection of stored chemicals usually used ultimately in high-throughput screening or industrial manufacture. The chemical library can consist in simple terms of a series of stored chemicals. Each chemical has associated information stored in some kind of database with information such as the chemical structure, purity, quantity, and physiochemical characteristics of the compound | https://huggingface.co/datasets/fmars/wiki_stem |
Chemical similarity (or molecular similarity) refers to the similarity of chemical elements, molecules or chemical compounds with respect to either structural or functional qualities, i. e. the effect that the chemical compound has on reaction partners in inorganic or biological settings | https://huggingface.co/datasets/fmars/wiki_stem |
Chemical space is a concept in cheminformatics referring to the property space spanned by all possible molecules and chemical compounds adhering to a given set of construction principles and boundary conditions. It contains millions of compounds which are readily accessible and available to researchers. It is a library used in the method of molecular docking | https://huggingface.co/datasets/fmars/wiki_stem |
Chemometrics is the science of extracting information from chemical systems by data-driven means. Chemometrics is inherently interdisciplinary, using methods frequently employed in core data-analytic disciplines such as multivariate statistics, applied mathematics, and computer science, in order to address problems in chemistry, biochemistry, medicine, biology and chemical engineering. In this way, it mirrors other interdisciplinary fields, such as psychometrics and econometrics | https://huggingface.co/datasets/fmars/wiki_stem |
The Chemical Structure Association Trust (CSA Trust) is an internationally recognized, registered charity which promotes education, research and development in the field of storage, processing and retrieval of information about chemical structures, reactions and compounds. Since 2003 it has incorporated the activities of the former Chemical Structure Association. The Trust produces a Newsletter three times a year, and organizes conferences and training in cooperation with other organizations | https://huggingface.co/datasets/fmars/wiki_stem |
Dendral was a project in artificial intelligence (AI) of the 1960s, and the computer software expert system that it produced. Its primary aim was to study hypothesis formation and discovery in science. For that, a specific task in science was chosen: help organic chemists in identifying unknown organic molecules, by analyzing their mass spectra and using knowledge of chemistry | https://huggingface.co/datasets/fmars/wiki_stem |
The Enzyme Commission number (EC number) is a numerical classification scheme for enzymes, based on the chemical reactions they catalyze. As a system of enzyme nomenclature, every EC number is associated with a recommended name for the corresponding enzyme-catalyzed reaction.
EC numbers do not specify enzymes but enzyme-catalyzed reactions | https://huggingface.co/datasets/fmars/wiki_stem |
In chemical graph theory, the Estrada index is a topological index of protein folding. The index was first defined by Ernesto Estrada as a measure of the degree of folding of a protein, which is represented as a path-graph weighted by the dihedral or torsional angles of the protein backbone. This index of degree of folding has found multiple applications in the study of protein functions and protein-ligand interactions | https://huggingface.co/datasets/fmars/wiki_stem |
The European chemical Substances Information System (ESIS) was a chemoinformatics database that stored information system on chemicals of the European Union. It was created by the former European Chemicals Bureau, which completed its mandate in 2008, in the year 2003. ESIS was set up by the Joint Research Centre of the European Commission in order to make data on the safety of chemicals more readily accessible to the public, offering a single search tool on chemicals and the legislation under which they are presently covered | https://huggingface.co/datasets/fmars/wiki_stem |
The Hosoya index, also known as the Z index, of a graph is the total number of matchings in it. The Hosoya index is always at least one, because the empty set of edges is counted as a matching for this purpose. Equivalently, the Hosoya index is the number of non-empty matchings plus one | https://huggingface.co/datasets/fmars/wiki_stem |
IUCLID (; International Uniform Chemical Information Database) is a software application to capture, store, maintain and exchange data on intrinsic and hazard properties of chemical substances. Distributed free of charge, the software is especially useful to chemical industry companies and to government authorities. It is the key tool for chemical industry to fulfill data submission obligations under REACH, the most important European Union legal document covering the production and use of chemical substances | https://huggingface.co/datasets/fmars/wiki_stem |
The Journal of Cheminformatics is a peer-reviewed open access scientific journal that covers cheminformatics and molecular modelling. It was established in 2009 with David Wild (Indiana University) and Christoph Steinbeck (then at EMBL-EBI) as founding editors-in-chief, and was originally published by Chemistry Central. At the end of 2015, the Chemistry Central brand was retired and its titles, including Journal of Cheminformatics, were merged with the SpringerOpen portfolio of open access journals | https://huggingface.co/datasets/fmars/wiki_stem |
Matched molecular pair analysis (MMPA) is a method in cheminformatics that compares the properties of two molecules that differ only by a single chemical transformation, such as the substitution of a hydrogen atom by a chlorine one. Such pairs of compounds are known as matched molecular pairs (MMP). Because the structural difference between the two molecules is small, any experimentally observed change in a physical or biological property between the matched molecular pair can more easily be interpreted | https://huggingface.co/datasets/fmars/wiki_stem |
Mathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. Mathematical chemistry has also sometimes been called computer chemistry, but should not be confused with computational chemistry.
Major areas of research in mathematical chemistry include chemical graph theory, which deals with topology such as the mathematical study of isomerism and the development of topological descriptors or indices which find application in quantitative structure-property relationships; and chemical aspects of group theory, which finds applications in stereochemistry and quantum chemistry | https://huggingface.co/datasets/fmars/wiki_stem |
In graph theory and theoretical computer science, a maximum common induced subgraph of two graphs G and H is a graph that is an induced subgraph of both G and H,
and that has as many vertices as possible.
Finding this graph is NP-hard.
In the associated decision problem, the input is two graphs G and H and a number k | https://huggingface.co/datasets/fmars/wiki_stem |
Medicinal or pharmaceutical chemistry is a scientific discipline at the intersection of chemistry and pharmacy involved with designing and developing pharmaceutical drugs. Medicinal chemistry involves the identification, synthesis and development of new chemical entities suitable for therapeutic use. It also includes the study of existing drugs, their biological properties, and their quantitative structure-activity relationships (QSAR) | https://huggingface.co/datasets/fmars/wiki_stem |
In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds. Its vertices are labeled with the kinds of the corresponding atoms and edges are labeled with the types of bonds | https://huggingface.co/datasets/fmars/wiki_stem |
Molecular Informatics is a peer-reviewed scientific journal published by Wiley VCH. It covers research in cheminformatics, quantitative structure–activity relationships, and combinatorial chemistry. It was established in 1981 as Quantitative Structure-Activity Relationships and renamed to QSAR & Combinatorial Science in 2003, before obtaining its present name in 2010 | https://huggingface.co/datasets/fmars/wiki_stem |
The Molecular Query Language (MQL) was designed to allow more complex, problem-specific search methods in chemoinformatics. In contrast to the widely used SMARTS queries, MQL provides for the specification of spatial and physicochemical properties of atoms and bonds. Additionally, it can easily be extended to handle non-atom-based graphs, also known as "reduced feature" graphs | https://huggingface.co/datasets/fmars/wiki_stem |
A Savitzky–Golay filter is a digital filter that can be applied to a set of digital data points for the purpose of smoothing the data, that is, to increase the precision of the data without distorting the signal tendency. This is achieved, in a process known as convolution, by fitting successive sub-sets of adjacent data points with a low-degree polynomial by the method of linear least squares. When the data points are equally spaced, an analytical solution to the least-squares equations can be found, in the form of a single set of "convolution coefficients" that can be applied to all data sub-sets, to give estimates of the smoothed signal, (or derivatives of the smoothed signal) at the central point of each sub-set | https://huggingface.co/datasets/fmars/wiki_stem |
Drug discovery and development requires the integration of multiple scientific and technological disciplines. These include chemistry, biology, pharmacology, pharmaceutical technology and extensive use of information technology. The latter is increasingly recognised as Pharmacoinformatics | https://huggingface.co/datasets/fmars/wiki_stem |
The polar surface area (PSA) or topological polar surface area (TPSA) of a molecule is defined as the surface sum over all polar atoms or molecules, primarily oxygen and nitrogen, also including their attached hydrogen atoms.
PSA is a commonly used medicinal chemistry metric for the optimization of a drug's ability to permeate cells. Molecules with a polar surface area of greater than 140 angstroms squared (Å2) tend to be poor at permeating cell membranes | https://huggingface.co/datasets/fmars/wiki_stem |
Process analytical chemistry (PAC) is the application of analytical chemistry with specialized techniques, algorithms, and sampling equipment for solving problems related to chemical processes. It is a specialized form of analytical chemistry used for process manufacturing similar to process analytical technology (PAT) used in the pharmaceutical industry.
The chemical processes are for production and quality control of manufactured products, and process analytical technology is used to determine the physical and chemical composition of the desired products during a manufacturing process | https://huggingface.co/datasets/fmars/wiki_stem |
Sensitivity and specificity mathematically describe the accuracy of a test that reports the presence or absence of a condition. If individuals who have the condition are considered "positive" and those who do not are considered "negative", then sensitivity is a measure of how well a test can identify true positives and specificity is a measure of how well a test can identify true negatives:
Sensitivity (true positive rate) is the probability of a positive test result, conditioned on the individual truly being positive.
Specificity (true negative rate) is the probability of a negative test result, conditioned on the individual truly being negative | https://huggingface.co/datasets/fmars/wiki_stem |
In chemical graph theory, the Szeged index is a topological index of a molecule, used in biochemistry. The Szeged index, introduced by Iván Gutman, generalizes the concept of the Wiener index introduced by Harry Wiener.
The Szeged index of a connected graph G is defined as
S
z
(
G
)
=
∑
e
∈
E
(
G
)
n
1
(
e
∣
G
)
n
2
(
e
∣
G
)
,
{\displaystyle Sz(G)=\sum _{e\in E(G)}n_{1}(e\mid G)n_{2}(e\mid G),}
If e is an edge of G connecting vertices u and v, then we write e = uv or e = vu | https://huggingface.co/datasets/fmars/wiki_stem |
The Tetrahedron Computer Methodology was a short lived journal that was published by Pergamon Press (now Elsevier) to experiment with electronic submission of articles in the ChemText format, and the sharing source code to enable reproducibility. It was the first chemical journal to be published electronically, with issues distributed in print and on floppy disks. It is likely it was also the first journal to accept submissions in a non-paper format (on floppy disks) | https://huggingface.co/datasets/fmars/wiki_stem |
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