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.
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).
Natural-language user interfaceNatural-language user interface (LUI or NLUI) is a type of computer human interface where linguistic phenomena such as verbs, phrases and clauses act as UI controls for creating, selecting and modifying data in software applications. In interface design, natural-language interfaces are sought after for their speed and ease of use, but most suffer the challenges to understanding wide varieties of ambiguous input. Natural-language interfaces are an active area of study in the field of natural-language processing and computational linguistics.
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.
Chemical reactionA chemical reaction is a process that leads to the chemical transformation of one set of chemical substances to another. Classically, chemical reactions encompass changes that only involve the positions of electrons in the forming and breaking of chemical bonds between atoms, with no change to the nuclei (no change to the elements present), and can often be described by a chemical equation. Nuclear chemistry is a sub-discipline of chemistry that involves the chemical reactions of unstable and radioactive elements where both electronic and nuclear changes can occur.
Reaction mechanismIn chemistry, a reaction mechanism is the step by step sequence of elementary reactions by which overall chemical reaction occurs. A chemical mechanism is a theoretical conjecture that tries to describe in detail what takes place at each stage of an overall chemical reaction. The detailed steps of a reaction are not observable in most cases. The conjectured mechanism is chosen because it is thermodynamically feasible and has experimental support in isolated intermediates (see next section) or other quantitative and qualitative characteristics of the reaction.
Total synthesisTotal synthesis is the complete chemical synthesis of a complex molecule, often a natural product, from simple, commercially-available precursors. It usually refers to a process not involving the aid of biological processes, which distinguishes it from semisynthesis. Syntheses may sometimes conclude at a precursor with further known synthetic pathways to a target molecule, in which case it is known as a formal synthesis. Total synthesis target molecules can be natural products, medicinally-important active ingredients, known intermediates, or molecules of theoretical interest.
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.
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.
Synthetic biologySynthetic biology (SynBio) is a multidisciplinary field of science that focuses on living systems and organisms, and it applies engineering principles to develop new biological parts, devices, and systems or to redesign existing systems found in nature. It is a branch of science that encompasses a broad range of methodologies from various disciplines, such as biotechnology, biomaterials, material science/engineering, genetic engineering, molecular biology, molecular engineering, systems biology, membrane science, biophysics, chemical and biological engineering, electrical and computer engineering, control engineering and evolutionary biology.
Context-free languageIn formal language theory, a context-free language (CFL) is a language generated by a context-free grammar (CFG). Context-free languages have many applications in programming languages, in particular, most arithmetic expressions are generated by context-free grammars. Different context-free grammars can generate the same context-free language. Intrinsic properties of the language can be distinguished from extrinsic properties of a particular grammar by comparing multiple grammars that describe the language.
Context-free grammarIn formal language theory, a context-free grammar (CFG) is a formal grammar whose production rules can be applied to a nonterminal symbol regardless of its context. In particular, in a context-free grammar, each production rule is of the form with a single nonterminal symbol, and a string of terminals and/or nonterminals ( can be empty). Regardless of which symbols surround it, the single nonterminal on the left hand side can always be replaced by on the right hand side.
Scientific theoryA scientific theory is an explanation of an aspect of the natural world and universe that can be (or a fortiori, that has been) repeatedly tested and corroborated in accordance with the scientific method, using accepted protocols of observation, measurement, and evaluation of results. Where possible, theories are tested under controlled conditions in an experiment. In circumstances not amenable to experimental testing, theories are evaluated through principles of abductive reasoning.
Organic reactionOrganic reactions are chemical reactions involving organic compounds. The basic organic chemistry reaction types are addition reactions, elimination reactions, substitution reactions, pericyclic reactions, rearrangement reactions, photochemical reactions and redox reactions. In organic synthesis, organic reactions are used in the construction of new organic molecules. The production of many man-made chemicals such as drugs, plastics, food additives, fabrics depend on organic reactions.
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.
Scientific lawScientific laws or laws of science are statements, based on repeated experiments or observations, that describe or predict a range of natural phenomena. The term law has diverse usage in many cases (approximate, accurate, broad, or narrow) across all fields of natural science (physics, chemistry, astronomy, geoscience, biology). Laws are developed from data and can be further developed through mathematics; in all cases they are directly or indirectly based on empirical evidence.
Context-sensitive grammarA context-sensitive grammar (CSG) is a formal grammar in which the left-hand sides and right-hand sides of any production rules may be surrounded by a context of terminal and nonterminal symbols. Context-sensitive grammars are more general than context-free grammars, in the sense that there are languages that can be described by a CSG but not by a context-free grammar. Context-sensitive grammars are less general (in the same sense) than unrestricted grammars.
Natural language generationNatural language generation (NLG) is a software process that produces natural language output. A widely-cited survey of NLG methods describes NLG as "the subfield of artificial intelligence and computational linguistics that is concerned with the construction of computer systems than can produce understandable texts in English or other human languages from some underlying non-linguistic representation of information". While it is widely agreed that the output of any NLG process is text, there is some disagreement about whether the inputs of an NLG system need to be non-linguistic.
History of scientific methodThe history of scientific method considers changes in the methodology of scientific inquiry, as distinct from the history of science itself. The development of rules for scientific reasoning has not been straightforward; scientific method has been the subject of intense and recurring debate throughout the history of science, and eminent natural philosophers and scientists have argued for the primacy of one or another approach to establishing scientific knowledge.
