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The reason is that the heavier isotopes tend to displace the lighter ones in those molecules where the heavy isotopes form the strongest chemical bond.
The oxime, maleimide/thiol, and click linkages can be used with more complex molecules, where the conjugation only occurs at specific sites.
This never occurs for electrons in artificial or natural diatomic molecules, where the dissociation follows the pattern indicated by the dashed line.
While a large portion of this cost results from the failed molecules, where the candidate chemical compounds are proven to be unsuitable for further development in preclinical and clinical testing [1].
Here, each molecule was eliminated from the training set and its pLD50 value was predicted as the inverse distance weighted average activity of the k most similar molecules, where the value of k was optimized as well (k = 1 10).
Some of these appear to be clear mistakes; there are three predictions of log S between 4.1 and 6.0 for molecules where the median predictions were between − 3.25 and − 4.5.
Similar(32)
A SOM refers to the place in a molecule where the metabolic reaction occurs.
X-ray crystallography and sequence analysis together reveal the hypervariable regions of hexon at the top of the molecule where the most variation is tolerated.
This activation occurs through a charge transfer from the NPs to the CO2 molecule, where the local metal d-orbital density localization on surface Ni plays a pivotal role.
For the simplest transfer of electrons, adsorption should occur at the part of the molecule where the softness, σ, which is a local property, has the highest value.
This is analogous to representing the network as a giant molecule, where the nodes correspond to atoms and internode link connectivity to bond strengths.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com