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Chemical Library
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. Purpose In drug discovery high-throughput screening, it is desirable to screen a drug target against a selection of chemicals that try to take advantage of as much of the appropriate chemical space as possible. The chemical space of all possible chemical structures is extraordinarily large. Most stored chemical libraries do not typically have a fully represented or sampled chemical space mostly because of storage and cost concerns. However, since many molecular interactions cannot be predicted, the wider the chemical space that is sampled by the chemical l ...
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Assay Plate Carousel
An assay is an investigative (analytic) procedure in laboratory medicine, mining, pharmacology, environmental biology and molecular biology for qualitatively assessing or quantitatively measuring the presence, amount, or functional activity of a target entity. The measured entity is often called the analyte, the measurand, or the target of the assay. The analyte can be a drug, Biochemistry, biochemical substance, chemical element or chemical compound, compound, or Cell (biology), cell in an organism or organic Sample (material), sample. An assay usually aims to measure an analyte's Intensive and extensive properties, intensive property and express it in the relevant Unit of measurement, measurement unit (e.g. molarity, density, functional activity in enzyme international units, degree of effect in comparison to a standard, etc.). If the assay involves exogenous reactants (the reagents), then their quantities are kept fixed (or in excess) so that the quantity and quality of the ta ...
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Druglikeness
Druglikeness is a qualitative concept used in drug design for how "druglike" a substance is with respect to factors like bioavailability. A druglike molecule has properties such as: * Solubility in both water and fat, as an orally administered drug needs to pass through the intestinal lining after it is consumed, be carried in aqueous blood and penetrate the lipid-based cell membrane to reach the inside of a cell. A model compound for the Lipophile, lipophilic cellular membrane is 1-octanol (a lipophilic medium-chain fatty alcohol), so the logarithm of the octanol-water partition coefficient, known as Partition coefficient#Partition coefficient and log P, LogP, is used to predict the solubility of a potential oral drug. This coefficient can be experimentally measured or predicted computationally, in which case it is sometimes called "cLogP". As the lipophilicity of ionizable compounds is strongly dependent of pH, Partition coefficient#Distribution coefficient and log D, the distri ...
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Scientific Collection
A scientific collection is a collection of items that are preserved, catalogued, and managed for the purpose of scientific study. Scientific collections dealing specifically with organisms plants, fungi, animals, insects and their remains, may also be called natural history collections or biological collections. The latter may contain either living stocks or preserved repositories of biodiversity specimens and materials. Scientific collections hold a tangible portion of the cumulative evidence base in such fields as biology (especially taxonomy and evolutionary biology), geology, and archaeology. They may be stored and managed by governments, educational institutions (e.g. colleges and universities), private organizations (including museums), or individuals. Prominent uses of scientific collections include the systematic description and identification of biological species, the study and prediction of long-term historical trends (including impacts of climate change), the dating ...
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Lead Compound
A lead compound (, i.e. a "leading" compound, not to be confused with various compounds of the metallic element lead) in drug discovery is a chemical compound that has pharmacological or biological activity likely to be therapeutically useful, but may nevertheless have suboptimal structure that requires modification to fit better to the target; lead drugs offer the prospect of being followed by back-up compounds. Its chemical structure serves as a starting point for chemical modifications in order to improve potency, selectivity, or pharmacokinetic parameters. Furthermore, newly invented pharmacologically active moieties may have poor druglikeness and may require chemical modification to become drug-like enough to be tested biologically or clinically. Terminology Lead compounds are sometimes called developmental candidates. This is because the discovery and selection of lead compounds occurs prior to preclinical and clinical development of the candidate. Discovering lead compo ...
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Compound Management
Compound may refer to: Architecture and built environments * Compound (enclosure), a cluster of buildings having a shared purpose, usually inside a fence or wall ** Compound (fortification), a version of the above fortified with defensive structures * Compound (migrant labour), a hostel for migrant workers such as those historically connected with mines in South Africa * The Compound, an area of Palm Bay, Florida, US * Komboni or compound, a type of slum in Zambia Government and law * Composition (fine), a legal procedure in use after the English Civil War ** Committee for Compounding with Delinquents, an English Civil War institution that allowed Parliament to compound the estates of Royalists * Compounding treason, an offence under the common law of England * Compounding a felony, a previous offense under the common law of England Linguistics * Compound (linguistics), a word that consists of more than one radical element * Compound sentence (linguistics), a type of senten ...
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Robotics
Robotics is the interdisciplinary study and practice of the design, construction, operation, and use of robots. Within mechanical engineering, robotics is the design and construction of the physical structures of robots, while in computer science, robotics focuses on robotic automation algorithms. Other disciplines contributing to robotics include electrical engineering, electrical, control engineering, control, software engineering, software, Information engineering (field), information, electronics, electronic, telecommunications engineering, telecommunication, computer engineering, computer, mechatronic, and materials engineering, materials engineering. The goal of most robotics is to design machines that can help and assist humans. Many robots are built to do jobs that are hazardous to people, such as finding survivors in unstable ruins, and exploring space, mines and shipwrecks. Others replace people in jobs that are boring, repetitive, or unpleasant, such as cleaning, ...
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Relational Database
A relational database (RDB) is a database based on the relational model of data, as proposed by E. F. Codd in 1970. A Relational Database Management System (RDBMS) is a type of database management system that stores data in a structured format using rows and columns. Many relational database systems are equipped with the option of using SQL (Structured Query Language) for querying and updating the database. History The concept of relational database was defined by E. F. Codd at IBM in 1970. Codd introduced the term ''relational'' in his research paper "A Relational Model of Data for Large Shared Data Banks". In this paper and later papers, he defined what he meant by ''relation''. One well-known definition of what constitutes a relational database system is composed of Codd's 12 rules. However, no commercial implementations of the relational model conform to all of Codd's rules, so the term has gradually come to describe a broader class of database systems, which at a ...
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Barcode
A barcode or bar code is a method of representing data in a visual, Machine-readable data, machine-readable form. Initially, barcodes represented data by varying the widths, spacings and sizes of parallel lines. These barcodes, now commonly referred to as linear or one-dimensional (1D), can be scanned by special optical scanners, called barcode readers, of which there are several types. Later, two-dimensional (2D) variants were developed, using rectangles, dots, hexagons and other patterns, called ''2D barcodes'' or ''matrix codes'', although they do not use bars as such. Both can be read using purpose-built 2D optical scanners, which exist in a few different forms. Matrix codes can also be read by a digital camera connected to a microcomputer running software that takes a photographic image of the barcode and analyzes the image to deconstruct and decode the code. A mobile device with a built-in camera, such as a smartphone, can function as the latter type of barcode reader usin ...
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Occupational Safety And Health Administration
The Occupational Safety and Health Administration (OSHA; ) is a regulatory agency of the United States Department of Labor that originally had federal visitorial powers to inspect and examine workplaces. The United States Congress established the agency under the Occupational Safety and Health Act (OSH Act), which President Richard Nixon, Richard M. Nixon signed into law on December 29, 1970. OSHA's mission is to "assure safe and healthy working conditions for working men and women by setting and enforcing standards and by providing training, outreach, education, and assistance." The agency is also charged with enforcing a variety of whistleblower statutes and regulations. OSHA's workplace safety inspections have been shown to reduce injury rates and injury costs without adverse effects on employment, sales, credit ratings, or firm survival. History The Bureau of Labor Standards of the Department of Labor has worked on some work safety issues since its creation in 1934. Economi ...
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Drug Discovery Hit To Lead
Hit to lead (H2L) also known as lead generation is a stage in early drug discovery where small molecule hits from a high-throughput screening, high throughput screen (HTS) are evaluated and undergo limited optimization to identify promising lead compounds. These lead compounds undergo more extensive optimization in a subsequent step of drug discovery called lead optimization (LO). The drug discovery process generally follows the following path that includes a hit to lead stage: * Target validation (TV) → Assay development → High-throughput screening (HTS) → Hit to lead (H2L) → #Lead optimization phase, Lead optimization (LO) → Preclinical development → Drug development#Clinical phase, Clinical development The hit to lead stage starts with confirmation and evaluation of the initial screening hits and is followed by synthesis of structural analog, analogs (hit expansion). Typically the initial screening hits display binding affinity, binding affinities for their biologic ...
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Chemoproteomics
Chemoproteomics (also known as chemical proteomics) entails a broad array of techniques used to identify and interrogate protein-small molecule interactions. Chemoproteomics complements Classical pharmacology, phenotypic drug discovery, a paradigm that aims to discover lead compounds on the basis of alleviating a disease phenotype, as opposed to Reverse pharmacology, target-based drug discovery (reverse pharmacology), in which lead compounds are designed to interact with predetermined disease-driving biological targets. As phenotypic drug discovery assays do not provide confirmation of a compound's mechanism of action, chemoproteomics provides valuable follow-up strategies to narrow down potential Biological target, targets and eventually validate a molecule's mechanism of action. Chemoproteomics also attempts to address the inherent challenge of polypharmacology, drug promiscuity in small molecule drug discovery by analyzing protein-small molecule interactions on a proteome-wide sca ...
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Medicinal Chemistry
Medicinal or pharmaceutical chemistry is a scientific discipline at the intersection of chemistry and pharmacy involved with drug design, designing and developing pharmaceutical medication, drugs. Medicinal chemistry involves the identification, synthesis and development of new chemical entity, 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). Medicinal chemistry is a highly interdisciplinary science combining organic chemistry with biochemistry, computational chemistry, pharmacology, molecular biology, statistics, and physical chemistry. Compounds used as medicines are most often organic compounds, which are often divided into the broad classes of Small molecule, small organic molecules (e.g., atorvastatin, fluticasone, clopidogrel) and "biologic medical product, biologics" (infliximab, erythropoietin, insulin glargine), the latter of whic ...
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