Sentence examples for transformation size from inspiring English sources
For the generation of MMP-cliffs, SAR transfer series, and RECAP-MMPs, transformation size restrictions that limit transformations to meaningful chemical substitutions were introduced.
Different from the original analysis of target-based SAR transfer that was based upon MMPs without transformation size restrictions, the current analysis has been carried out on the basis of size-restricted MMPs.
Spectrograms were made with a Fast Fourier transformation size of 512, a high-pass filter of 0.6 kHz and the rainbow colour palette setting with a low and high intensity threshold of −35 and −15 dB, respectively.
Accordingly, transformation size-restricted MMPs mostly account for structural analogs.
To define activity cliffs, transformation size-restricted MMPs have been introduced in which transformations are limited to small and chemically meaningful replacements.
For the definition of activity cliffs, transformation size-restricted MMPs have been introduced in which transformations are limited to relatively small and chemically meaningful replacements.
All possible transformation size-restricted MMPs and RECAP-MMPs were calculated using an in-house implementation of the algorithm by Hussain and Rea that utilizes the OpenEye toolkit.
In the following, we consistently adhere to our previously rationalized preferred activity cliff definition : (a) Similarity criterion: Formation of a transformation size-restricted MMP.
169,889 and 240,322 transformation size-restricted MMPs based upon retrosynthetic rules with K i and IC 50 values, respectively, are systematically extracted from available AC. Different from the retrosynthetic rule-based MMPs presented above, applied transformation size-restrictions ensure that chemical changes distinguishing compounds in pairs are small.
It is especially the introduction and consequent application of so-called "transformation size-restricted matched molecular pairs" that renders this concept useful for the end-user, since an abstract cheminformatics tool becomes more tangible for the practitioner in the field.
Non-normal data or data with significant heterogeneity in variance transformed using a cube-root transformation (bill size) or an arcsine transformation (percent chestnut in eye-line), or compared with Mann-Whitney U test (crown class).
