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For the identification of matched pairs and molecular transformations we used two chemical libraries, ChemDiv and EINECS, described below.
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For both endpoints and their respective datasets, we identified all MMPs and their respective molecular transformations.
We define a chart that shows the actual and predicted effects of molecular transformations a delta-pair chart.
We believe that the present system should contribute to the realization of challenging molecular transformations by making use of the high reactivity of NHC-based FLPs.
Figure 13 Exemplary molecular transformations.
Figure 13 shows two examples of molecular transformations with four corresponding molecular pairs each.
One of the main ideas of MMP analysis is that some molecular transformations tend to systematically affect particular molecular properties.
MMP analysis has a practical goal: molecular transformations can help medicinal chemists to drive the molecular optimization process.
Such an approach allows identification of molecular transformations that affect particular activities (e.g. toxicity).
A second job uses this index to identify MMPs, and create and update molecular transformations.
To investigate the molecular basis underlying this transformation, we first asked which serum components are involved.
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