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In the present work, we explore the possibility of introducing selectivity to existing chemotherapeutics via the design of non-pro-drug, bi-functional molecules comprising a microtubule-binding agent and a substrate for a disease-associated kinase.
The Tanimoto coefficient was used to compute the similarity between the fingerprints for each of the molecules comprising a molecule-pair, using each type of fingerprint in turn.
Such variant alignments could result in the experts perceiving the molecules comprising a pair to be less similar than might have been expected from one or more of the computed, fingerprint-based similarities.
Then let t denote some threshold similarity for that measure such that the two molecules comprising a pair are predicted to be similar if their computed similarity is ≥ t and not similar if < t (in the same way as defined for t LR ).
This can be achieved using bifunctional molecules, comprising a targeting component and a cytotoxic component.
Mass spectrometry (MS) is an analytical technique that produces spectra (singular spectrum) of the masses of the molecules comprising a sample.
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RGMs (repulsive guidance molecules) comprise a recently discovered family of GPI (glycosylphosphatidylinositol -linked cell-membrane-associated proteins found in most vertebrate species.
Some general conclusions can be drawn from our analysis: exogenous small molecules comprise a productive avenue for the discovery of cryptic metabolites.
These molecules comprise a donor-acceptor molecular architecture incorporating thiophene and benzothiadiazole derivatives as the electron-donating and electron-withdrawing moieties, respectively.
These molecules comprise: a lipid moiety, called lipid A, which is considered to be the endotoxic component, a glycosidic part consisting of a core of approximately 10 monosaccharides and, in "smooth-type" lipopolysaccharides, a third region, named O-chain, consisting of repetitive subunits of one to eight monosaccharides responsible for much of the immunospecificity of the bacterial cell.
Then logistic regression yields an equation of the form logit p = ln p 1 − p = β 0 + β 1 x. that describes a linear relationship between the similarity and the logarithm of the odds that the molecules comprise a similar molecule-pair [29].
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CEO of Professional Science Editing for Scientists @ prosciediting.com