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The similarity-based [4] virtual screening (a kind of ligand-based virtual screening) assumes that all compounds in a database that are similar to a query compound have similar biological activity. Although this hypothesis is not always valid, [ 5 ] quite often the set of retrieved compounds is considerably enriched with actives. [ 6 ]
For the 1993 edition of Pandas, Behe wrote a chapter on blood clotting, presenting arguments which he later presented in very similar terms in a chapter in his 1996 book Darwin's Black Box. Behe later agreed that they were essentially the same when he defended intelligent design at the Dover trial. [16] [17]
Similarity measures play a crucial role in many clustering techniques, as they are used to determine how closely related two data points are and whether they should be grouped together in the same cluster. A similarity measure can take many different forms depending on the type of data being clustered and the specific problem being solved.
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 likely make it an orally active drug in humans.
Typically RMSD is used as a quantitative measure of similarity between two or more protein structures. For example, the CASP protein structure prediction competition uses RMSD as one of its assessments of how well a submitted structure matches the known, target structure. Thus the lower RMSD, the better the model is in comparison to the target ...
The children originally described by Susan Swedo et al. (1998) [17] usually had an abrupt onset of symptoms, including motor or vocal tics, obsessions, or compulsions. [18] [19] In addition to an obsessive–compulsive or tic disorder diagnosis, children may have other symptoms associated with exacerbations such as emotional lability, enuresis, anxiety, and deterioration in handwriting. [19]
Archaeological materials, such as bone, organic residues, hair, or sea shells, can serve as substrates for isotopic analysis. Carbon, nitrogen and zinc isotope ratios are used to investigate the diets of past people; these isotopic systems can be used with others, such as strontium or oxygen, to answer questions about population movements and cultural interactions, such as trade.
In organic chemistry, syn-and anti-addition are different ways in which substituent molecules can be added to an alkene (R 2 C=CR 2) or alkyne (RC≡CR).The concepts of syn and anti addition are used to characterize the different reactions of organic chemistry by reflecting the stereochemistry of the products in a reaction.