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Chemo-informatics
Cheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with computer science, 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 biochemistry, biology and molecular biology, 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. History Cheminformatics has been an active field in various guises since the 1970s and earlier, with activity in academic depart ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemistry
Chemistry is the scientific study of the properties and behavior of matter. It is a physical science within the natural sciences that studies the chemical elements that make up matter and chemical compound, compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during chemical reaction, reactions with other chemical substance, substances. Chemistry also addresses the nature of chemical bonds in chemical compounds. In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central science because it provides a foundation for understanding both Basic research, basic and Applied science, applied scientific disciplines at a fundamental level. For example, chemistry explains aspects of plant growth (botany), the formation of igneous rocks (geology), how atmospheric ozone is formed and how environmental pollutants are degraded (ecology), the prop ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Physical Chemistry
Physical chemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistical mechanics, analytical dynamics and chemical equilibria. Physical chemistry, in contrast to chemical physics, is predominantly (but not always) a supra-molecular science, as the majority of the principles on which it was founded relate to the bulk rather than the molecular or atomic structure alone (for example, chemical equilibrium and colloids). Some of the relationships that physical chemistry strives to understand include the effects of: # Intermolecular forces that act upon the physical properties of materials ( plasticity, tensile strength, surface tension in liquids). # Reaction kinetics on the rate of a reaction. # The identity of ions and the electrical conductivity of materials. # Surface science and electrochemistry of cell m ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Topology (chemistry)
In chemistry, topology provides a way of describing and predicting the molecular structure within the constraints of three-dimensional (3-D) space. Given the determinants of chemical bonding and the Chemical property, chemical properties of the atoms, topology provides a model for explaining how the atoms ethereal wave functions must fit together. Molecular topology is a part of mathematical chemistry dealing with the algebraic description of chemical compounds so allowing a unique and easy characterization of them. Topology is insensitive to the details of a scalar field, and can often be determined using simplified calculations. Scalar fields such as electron density, Erwin Madelung, Madelung field, covalent field and the electrostatic potential can be used to model topology.Brown, David; Topology and Chemistry; Structural Chemistry Volume 13, Numbers 3–4, 339–355, Each scalar field has its own distinctive topology and each provides different information about the nature ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Database Mining
Structure mining or structured data mining is the process of finding and extracting useful information from semi-structured data sets. Graph mining, sequential pattern mining and molecule mining are special cases of structured data mining. Description The growth of the use of semi-structured data has created new opportunities for data mining, which has traditionally been concerned with tabular data sets, reflecting the strong association between data mining and relational databases. Much of the world's interesting and mineable data does not easily fold into relational databases, though a generation of software engineers have been trained to believe this was the only way to handle data, and data mining algorithms have generally been developed only to cope with tabular data. XML, being the most frequent way of representing semi-structured data, is able to represent both tabular data and arbitrary trees. Any particular representation of data to be exchanged between two applicatio ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Structured Data
A data model is an abstract model that organizes elements of data and standardizes how they relate to one another and to the properties of real-world entities. For instance, a data model may specify that the data element representing a car be composed of a number of other elements which, in turn, represent the color and size of the car and define its owner. The corresponding professional activity is called generally ''data modeling'' or, more specifically, '' database design''. Data models are typically specified by a data expert, data specialist, data scientist, data librarian, or a data scholar. A data modeling language and notation are often represented in graphical form as diagrams. Michael R. McCaleb (1999)"A Conceptual Data Model of Datum Systems". National Institute of Standards and Technology. August 1999. A data model can sometimes be referred to as a data structure, especially in the context of programming languages. Data models are often complemented by function ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Structured Data Mining
Structure mining or structured data mining is the process of finding and extracting useful information from semi-structured data sets. Graph mining, sequential pattern mining and molecule mining are special cases of structured data mining. Description The growth of the use of semi-structured data has created new opportunities for data mining, which has traditionally been concerned with tabular data sets, reflecting the strong association between data mining and relational databases. Much of the world's interesting and mineable data does not easily fold into relational databases, though a generation of software engineers have been trained to believe this was the only way to handle data, and data mining algorithms have generally been developed only to cope with tabular data. XML, being the most frequent way of representing semi-structured data, is able to represent both tabular data and arbitrary trees. Any particular representation of data to be exchanged between two applications ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Unstructured Data
Unstructured data (or unstructured information) is information that either does not have a pre-defined data model or is not organized in a pre-defined manner. Unstructured information is typically plain text, text-heavy, but may contain data such as dates, numbers, and facts as well. This results in irregularities and ambiguities that make it difficult to understand using traditional programs as compared to data stored in fielded form in databases or annotation, annotated (Tag (metadata), semantically tagged) in documents. In 1998, Merrill Lynch said "unstructured data comprises the vast majority of data found in an organization, some estimates run as high as 80%." It is unclear what the source of this number is, but nonetheless it is accepted by some. Other sources have reported similar or higher percentages of unstructured data. , International Data Corporation, IDC and Dell EMC project that data will grow to 40 zettabytes by 2020, resulting in a 50-fold growth from the beginnin ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Digital Libraries
A digital library (also called an online library, an internet library, a digital repository, a library without walls, or a digital collection) is an online database of digital resources that can include text, still images, audio, video, digital documents, or other digital media formats or a library accessible through the internet. Objects can consist of digitized content like print or photographs, as well as originally produced digital content like word processor files or social media posts. In addition to storing content, digital libraries provide means for organizing, searching, and retrieving the content contained in the collection. Digital libraries can vary immensely in size and scope, and can be maintained by individuals or organizations. The digital content may be stored locally, or accessed remotely via computer networks. These information retrieval systems are able to exchange information with each other through interoperability and sustainability. History The earl ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Machine Learning
Machine learning (ML) is a field of study in artificial intelligence concerned with the development and study of Computational statistics, statistical algorithms that can learn from data and generalise to unseen data, and thus perform Task (computing), tasks without explicit Machine code, instructions. Within a subdiscipline in machine learning, advances in the field of deep learning have allowed Neural network (machine learning), neural networks, a class of statistical algorithms, to surpass many previous machine learning approaches in performance. ML finds application in many fields, including natural language processing, computer vision, speech recognition, email filtering, agriculture, and medicine. The application of ML to business problems is known as predictive analytics. Statistics and mathematical optimisation (mathematical programming) methods comprise the foundations of machine learning. Data mining is a related field of study, focusing on exploratory data analysi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pulp Industry
Pulp may refer to: * Pulp (fruit), the inner flesh of fruit * Pulp (band), an English rock band Engineering * Pulp (paper), the fibrous material used to make paper * Dissolving pulp, highly purified cellulose used in fibre and film manufacture * Molded pulp, a packaging material * Ore pulp, a mixture of finely ground ore, water, and chemicals used in the froth flotation process for mineral processing. Biology and medics * Pulp (finger) * Pulp (spleen) * Pulp (tooth) * Beet pulp, a byproduct from the processing of sugar beet which is used as fodder * Citrus pulp, the juice vesicles of a citrus fruit Film * Pulp (1972 film), ''Pulp'' (1972 film), a 1972 British comedy thriller film, directed by Mike Hodges * Pulp (2012 film), ''Pulp'' (2012 film), a British comedy film directed by Adam Hamdy and Shaun Magher Publications * Pulp magazine (or pulp fiction), inexpensive fiction magazines, published from 1896 to 1950s * Pulp (Filipino music magazine), ''Pulp'' (Filipino music magaz ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Paper Industry
The pulp and paper industry comprises companies that use wood, specifically pulpwood, as raw material and produce pulp, paper, paperboard, and other cellulose-based products. Manufacturing process In the manufacturing process, pulp is introduced into a paper machine where it is shaped into a paper web and water is extracted through pressing and drying stages. Pressing involves removing water from the sheet by applying force. This process employs a specialized type of felt, distinct from traditional felt, to absorb the water. In contrast, hand-made paper uses a blotter sheet for this purpose. Drying involves eliminating water from the paper sheets through air or heat. Historically, this was achieved by hanging the sheets to dry, similar to laundry. In modern papermaking, various heated drying mechanisms are employed, with the steam-heated can dryer being the most prevalent on paper machines. History Papermaking as a craft is ancient, and for centuries it used various fibers, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
