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The wwPDB maintained the specifications of the PDB file format and its XML alternative, PDBML. There was a fairly major change in PDB format specification (to version 3.0) in August 2007, and a remediation of many file problems in the existing database. [3] The typical file extension for a PDB file was .pdb, although some older files used .ent ...
SDF is one of a family of chemical-data file formats developed by MDL; it is intended especially for structural information. "SDF" stands for structure-data format, and SDF files actually wrap the molfile (MDL Molfile) format. Multiple records are delimited by lines consisting of four dollar signs ($$$$). A key feature of this format is its ...
Interactive Forms is a mechanism to add forms to the PDF file format. PDF currently supports two different methods for integrating data and PDF forms. Both formats today coexist in the PDF specification: [38] [53] [54] [55] AcroForms (also known as Acrobat forms), introduced in the PDF 1.2 format specification and included in all later PDF ...
The effects of reactor type on dispersity depend largely on the relative timescales associated with the reactor, and with the polymerization type. In conventional bulk free radical polymerization, the dispersity is often controlled by the proportion of chains that terminate via combination or disproportionation. [ 10 ]
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In physical chemistry and chemical engineering, extent of reaction is a quantity that measures the extent to which the reaction has proceeded. Often, it refers specifically to the value of the extent of reaction when equilibrium has been reached.
The Taft equation is often employed in biological chemistry and medicinal chemistry for the development of quantitative structure–activity relationships (QSARs). In a recent example, Sandri and co-workers [13] have used Taft plots in studies of polar effects in the aminolysis of β-lactams.
Chemical similarity (or molecular similarity) refers to the similarity of chemical elements, molecules or chemical compounds with respect to either structural or functional qualities, i.e. the effect that the chemical compound has on reaction partners in inorganic or biological settings.