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Molecular Property
Molecular properties include the chemical properties, physical properties, and structural properties of molecules, including drugs. Molecular properties typically do not include pharmacological or biological properties of a chemical compound. See also * Biological activity * Chemical property * Chemical structure * Lipinski's rule of five Lipinski's rule of five, also known as Pfizer's rule of five or simply the rule of five (RO5), is a rule of thumb to evaluate druglikeness or determine if a chemical compound with a certain pharmacological or biological activity has chemical pro ..., describing molecular properties of drugs * Physical property * QSAR, quantitative structure-activity relationship References Physical quantities Molecules {{chem-stub ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Property
A chemical property is any of a material's properties that becomes evident during, or after, a chemical reaction; that is, any quality that can be established only by changing a substance's chemical identity.William L. Masterton, Cecile N. Hurley, "Chemistry: Principles and Reactions", 6th edition. Brooks/Cole Cengage Learning, 2009, p.1(Google books)/ref> Simply speaking, chemical properties cannot be determined just by viewing or touching the substance; the substance's internal structure must be affected greatly for its chemical properties to be investigated. When a substance goes under a chemical reaction, the properties will change drastically, resulting in chemical change. However, a catalytic property would also be a chemical property. Chemical properties can be contrasted with physical properties, which can be discerned without changing the substance's structure. However, for many properties within the scope of physical chemistry, and other disciplines at the boundary betwe ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
University Of Central Florida
The University of Central Florida (UCF) is a public research university whose main campus is in unincorporated Orange County, Florida. UCF also has nine smaller regional campuses throughout central Florida. It is part of the State University System of Florida. With 70,406 students as of the Fall 2021 semester, UCF has the second-largest student body of any public university in the United States. UCF was founded in 1963 and opened in 1968 as Florida Technological University, with the mission to provide personnel to support the growing U.S. space program at the Kennedy Space Center and Cape Canaveral Space Force Station on Florida's Space Coast. As its academic scope expanded beyond engineering and technology, Florida Tech was renamed the University of Central Florida in 1978. UCF's space roots continue, as it leads the NASA Florida Space Grant Consortium. Initial enrollment was 1,948 students; enrollment in 2022 exceeds 70,000 students from 157 countries, all 50 states and W ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Physical Property
A physical property is any property that is measurable, whose value describes a state of a physical system. The changes in the physical properties of a system can be used to describe its changes between momentary states. Physical properties are often referred to as observables. They are not modal properties. A quantifiable physical property is called physical quantity. Physical properties are often characterized as intensive and extensive properties. An intensive property does not depend on the size or extent of the system, nor on the amount of matter in the object, while an extensive property shows an additive relationship. These classifications are in general only valid in cases when smaller subdivisions of the sample do not interact in some physical or chemical process when combined. Properties may also be classified with respect to the directionality of their nature. For example, isotropic properties do not change with the direction of observation, and anisotropic prop ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Lipinski's Rule Of Five
Lipinski's rule of five, also known as Pfizer's rule of five or simply the rule of five (RO5), is a rule of thumb to evaluate druglikeness or determine if a chemical compound with a certain pharmacological or biological activity has chemical properties and physical properties that would make it a likely orally active drug in humans. The rule was formulated by Christopher A. Lipinski in 1997, based on the observation that most orally administered drugs are relatively small and moderately lipophilic molecules. The rule describes molecular properties important for a drug's pharmacokinetics in the human body, including their absorption, distribution, metabolism, and excretion ("ADME"). However, the rule does not predict if a compound is pharmacologically active. The rule is important to keep in mind during drug discovery when a pharmacologically active lead structure is optimized step-wise to increase the activity and selectivity of the compound as well as to ensure drug-like phys ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Structure
A chemical structure determination includes a chemist's specifying the molecular geometry and, when feasible and necessary, the electronic structure of the target molecule or other solid. Molecular geometry refers to the spatial arrangement of atoms in a molecule and the chemical bonds that hold the atoms together, and can be represented using structural formulae and by molecular models; complete electronic structure descriptions include specifying the occupation of a molecule's molecular orbitals. Structure determination can be applied to a range of targets from very simple molecules (e.g., diatomic oxygen or nitrogen), to very complex ones (e.g., such as protein or DNA). Background Theories of chemical structure were first developed by August Kekulé, Archibald Scott Couper, and Aleksandr Butlerov, among others, from about 1858. These theories were first to state that chemical compounds are not a random cluster of atoms and functional groups, but rather had a definite or ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Property
A chemical property is any of a material's properties that becomes evident during, or after, a chemical reaction; that is, any quality that can be established only by changing a substance's chemical identity.William L. Masterton, Cecile N. Hurley, "Chemistry: Principles and Reactions", 6th edition. Brooks/Cole Cengage Learning, 2009, p.1(Google books)/ref> Simply speaking, chemical properties cannot be determined just by viewing or touching the substance; the substance's internal structure must be affected greatly for its chemical properties to be investigated. When a substance goes under a chemical reaction, the properties will change drastically, resulting in chemical change. However, a catalytic property would also be a chemical property. Chemical properties can be contrasted with physical properties, which can be discerned without changing the substance's structure. However, for many properties within the scope of physical chemistry, and other disciplines at the boundary betwe ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Biological Activity
In pharmacology, biological activity or pharmacological activity describes the beneficial or adverse effects of a drug on living matter. When a drug is a complex chemical mixture, this activity is exerted by the substance's active ingredient or pharmacophore but can be modified by the other constituents. Among the various properties of chemical compounds, pharmacological/biological activity plays a crucial role since it suggests uses of the compounds in the medical applications. However, chemical compounds may show some adverse and toxic effects which may prevent their use in medical practice. Activity is generally dosage-dependent. Further, it is common to have effects ranging from beneficial to adverse for one substance when going from low to high doses. Activity depends critically on fulfillment of the ADME criteria. To be an effective drug, a compound not only must be active against a target, but also possess the appropriate ADME (Absorption, Distribution, Metabolism, and ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Elsevier
Elsevier () is a Dutch academic publishing company specializing in scientific, technical, and medical content. Its products include journals such as '' The Lancet'', ''Cell'', the ScienceDirect collection of electronic journals, '' Trends'', the '' Current Opinion'' series, the online citation database Scopus, the SciVal tool for measuring research performance, the ClinicalKey search engine for clinicians, and the ClinicalPath evidence-based cancer care service. Elsevier's products and services also include digital tools for data management, instruction, research analytics and assessment. Elsevier is part of the RELX Group (known until 2015 as Reed Elsevier), a publicly traded company. According to RELX reports, in 2021 Elsevier published more than 600,000 articles annually in over 2,700 journals; as of 2018 its archives contained over 17 million documents and 40,000 e-books, with over one billion annual downloads. Researchers have criticized Elsevier for its high profit m ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Physical Property
A physical property is any property that is measurable, whose value describes a state of a physical system. The changes in the physical properties of a system can be used to describe its changes between momentary states. Physical properties are often referred to as observables. They are not modal properties. A quantifiable physical property is called physical quantity. Physical properties are often characterized as intensive and extensive properties. An intensive property does not depend on the size or extent of the system, nor on the amount of matter in the object, while an extensive property shows an additive relationship. These classifications are in general only valid in cases when smaller subdivisions of the sample do not interact in some physical or chemical process when combined. Properties may also be classified with respect to the directionality of their nature. For example, isotropic properties do not change with the direction of observation, and anisotropic prop ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Compound
A chemical compound is a chemical substance composed of many identical molecules (or molecular entities) containing atoms from more than one chemical element held together by chemical bonds. A molecule consisting of atoms of only one element is therefore not a compound. A compound can be transformed into a different substance by a chemical reaction, which may involve interactions with other substances. In this process, bonds between atoms may be broken and/or new bonds formed. There are four major types of compounds, distinguished by how the constituent atoms are bonded together. Molecular compounds are held together by covalent bonds; ionic compounds are held together by ionic bonds; intermetallic compounds are held together by metallic bonds; coordination complexes are held together by coordinate covalent bonds. Non-stoichiometric compounds form a disputed marginal case. A chemical formula specifies the number of atoms of each element in a compound molecule, using ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Biological Activity
In pharmacology, biological activity or pharmacological activity describes the beneficial or adverse effects of a drug on living matter. When a drug is a complex chemical mixture, this activity is exerted by the substance's active ingredient or pharmacophore but can be modified by the other constituents. Among the various properties of chemical compounds, pharmacological/biological activity plays a crucial role since it suggests uses of the compounds in the medical applications. However, chemical compounds may show some adverse and toxic effects which may prevent their use in medical practice. Activity is generally dosage-dependent. Further, it is common to have effects ranging from beneficial to adverse for one substance when going from low to high doses. Activity depends critically on fulfillment of the ADME criteria. To be an effective drug, a compound not only must be active against a target, but also possess the appropriate ADME (Absorption, Distribution, Metabolism, and ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
