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Cheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with 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 biology and related molecular fields.
Conversion and its related terms yield and selectivity are important terms in chemical reaction engineering.They are described as ratios of how much of a reactant has reacted (X — conversion, normally between zero and one), how much of a desired product was formed (Y — yield, normally also between zero and one) and how much desired product was formed in ratio to the undesired product(s) (S ...
RNA folding problem: Is it possible to accurately predict the secondary, tertiary and quaternary structure of a polyribonucleic acid sequence based on its sequence and environment? Protein design : Is it possible to design highly active enzymes de novo for any desired reaction?
The solution has 1 mole or 1 equiv Na +, 1 mole or 2 equiv Ca 2+, and 3 mole or 3 equiv Cl −. An earlier definition, used especially for chemical elements , holds that an equivalent is the amount of a substance that will react with 1 g (0.035 oz) of hydrogen , 8 g (0.28 oz) of oxygen , or 35.5 g (1.25 oz) of chlorine —or that will displace ...
Chelation (/ k iː ˈ l eɪ ʃ ən /) is a type of bonding of ions and their molecules to metal ions. It involves the formation or presence of two or more separate coordinate bonds between a polydentate (multiple bonded) ligand and a single central metal atom.
So, when the free energy change is large (more than about 30 kJ mol −1), the equilibrium constant is large (log K > 3) and the concentrations of the reactants at equilibrium are very small. Such a reaction is sometimes considered to be an irreversible reaction, although small amounts of the reactants are still expected to be present in the ...
Conversion of units is the conversion of the unit of measurement in which a quantity is expressed, typically through a multiplicative conversion factor that changes the unit without changing the quantity. This is also often loosely taken to include replacement of a quantity with a corresponding quantity that describes the same physical property.
PubChem is a database of chemical molecules and their activities against biological assays.The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine, which is part of the United States National Institutes of Health (NIH).