Medicinal chemistryMedicinal 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).
Chemical industryThe chemical industry comprises the companies that develop and produce industrial, specialty and other chemicals. Central to the modern world economy, it converts raw materials (oil, natural gas, air, water, metals, and minerals) into industrial and consumer products. The plastics industry contains some overlap, as some chemical companies produce plastics as well as chemicals. Various professionals are involved in the chemical industry including chemical engineers, chemists and lab technicians.
Large language modelA large language model (LLM) is a language model characterized by its large size. Their size is enabled by AI accelerators, which are able to process vast amounts of text data, mostly scraped from the Internet. The artificial neural networks which are built can contain from tens of millions and up to billions of weights and are (pre-)trained using self-supervised learning and semi-supervised learning. Transformer architecture contributed to faster training.
Organic chemistryOrganic chemistry is a subdiscipline within chemistry involving the scientific study of the structure, properties, and reactions of organic compounds and organic materials, i.e., matter in its various forms that contain carbon atoms. Study of structure determines their structural formula. Study of properties includes physical and chemical properties, and evaluation of chemical reactivity to understand their behavior.
Organic compoundIn chemistry, many authors consider an organic compound to be any chemical compound that contains carbon-hydrogen or carbon-carbon bonds, however, some authors consider an organic compound to be any chemical compound that contains carbon. The definition of "organic" versus "inorganic" varies from author to author, and is a topic of debate. For example, methane () is considered organic, but whether some other carbon-containing compounds are organic or inorganic varies from author to author, for example halides of carbon without carbon-hydrogen and carbon-carbon bonds (e.
Chemical synthesisIn chemistry, chemical synthesis (chemical combination) is the artificial execution of chemical reactions to obtain one or several products. This occurs by physical and chemical manipulations usually involving one or more reactions. In modern laboratory uses, the process is reproducible and reliable. A chemical synthesis involves one or more compounds (known as reagents or reactants) that will experience a transformation when subjected to certain conditions. Various reaction types can be applied to formulate a desired product.
ChemistryChemistry is the scientific study of the properties and behavior of matter. It is a physical science under natural sciences that covers the elements that make up matter to the compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a reaction with other 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.
Organic synthesisOrganic synthesis is a special branch of chemical synthesis and is concerned with the intentional construction of organic compounds. Organic molecules are often more complex than inorganic compounds, and their synthesis has developed into one of the most important branches of organic chemistry. There are several main areas of research within the general area of organic synthesis: total synthesis, semisynthesis, and methodology.
Foundation modelsA foundation model (also called base model) is a large machine learning (ML) model trained on a vast quantity of data at scale (often by self-supervised learning or semi-supervised learning) such that it can be adapted to a wide range of downstream tasks. Foundation models have helped bring about a major transformation in how artificial intelligence (AI) systems are built, such as by powering prominent chatbots and other user-facing AI.
Language modelA language model is a probabilistic model of a natural language that can generate probabilities of a series of words, based on text corpora in one or multiple languages it was trained on. Large language models, as their most advanced form, are a combination of feedforward neural networks and transformers. They have superseded recurrent neural network-based models, which had previously superseded the pure statistical models, such as word n-gram language model.
Green chemistryGreen chemistry, similar to sustainable chemistry or circular chemistry, is an area of chemistry and chemical engineering focused on the design of products and processes that minimize or eliminate the use and generation of hazardous substances. While environmental chemistry focuses on the effects of polluting chemicals on nature, green chemistry focuses on the environmental impact of chemistry, including lowering consumption of nonrenewable resources and technological approaches for preventing pollution.
Gene predictionIn computational biology, gene prediction or gene finding refers to the process of identifying the regions of genomic DNA that encode genes. This includes protein-coding genes as well as RNA genes, but may also include prediction of other functional elements such as regulatory regions. Gene finding is one of the first and most important steps in understanding the genome of a species once it has been sequenced. In its earliest days, "gene finding" was based on painstaking experimentation on living cells and organisms.
TranslationTranslation is the communication of the meaning of a source-language text by means of an equivalent target-language text. The English language draws a terminological distinction (which does not exist in every language) between translating (a written text) and interpreting (oral or signed communication between users of different languages); under this distinction, translation can begin only after the appearance of writing within a language community.
Machine translationMachine translation is use of either rule-based or probabilistic (i.e. statistical and, most recently, neural network-based) machine learning approaches to translation of text or speech from one language to another, including the contextual, idiomatic and pragmatic nuances of both languages. History of machine translation The origins of machine translation can be traced back to the work of Al-Kindi, a ninth-century Arabic cryptographer who developed techniques for systemic language translation, including cryptanalysis, frequency analysis, and probability and statistics, which are used in modern machine translation.
Translation memoryA translation memory (TM) is a database that stores "segments", which can be sentences, paragraphs or sentence-like units (headings, titles or elements in a list) that have previously been translated, in order to aid human translators. The translation memory stores the source text and its corresponding translation in language pairs called “translation units”. Individual words are handled by terminology bases and are not within the domain of TM.
Neural machine translationNeural machine translation (NMT) is an approach to machine translation that uses an artificial neural network to predict the likelihood of a sequence of words, typically modeling entire sentences in a single integrated model. They require only a fraction of the memory needed by traditional statistical machine translation (SMT) models. Furthermore, unlike conventional translation systems, all parts of the neural translation model are trained jointly (end-to-end) to maximize the translation performance.
Modeling languageA modeling language is any artificial language that can be used to express data, information or knowledge or systems in a structure that is defined by a consistent set of rules. The rules are used for interpretation of the meaning of components in the structure Programing language. A modeling language can be graphical or textual. Graphical modeling languages use a diagram technique with named symbols that represent concepts and lines that connect the symbols and represent relationships and various other graphical notation to represent constraints.
Chemical plantA chemical plant is an industrial process plant that manufactures (or otherwise processes) chemicals, usually on a large scale. The general objective of a chemical plant is to create new material wealth via the chemical or biological transformation and or separation of materials. Chemical plants use specialized equipment, units, and technology in the manufacturing process.
Computer-assisted translationComputer-aided translation (CAT), also referred to as computer-assisted translation or computer-aided human translation (CAHT), is the use of software to assist a human translator in the translation process. The translation is created by a human, and certain aspects of the process are facilitated by software; this is in contrast with machine translation (MT), in which the translation is created by a computer, optionally with some human intervention (e.g. pre-editing and post-editing).
Computational chemistryComputational 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.
