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The purpose of this study is to aid fuel engineering efforts by identifying molecular structure features of biodiesel which can influence the compression ignition process during direct biodiesel utilization in diesel engines.
The results of this screening, which is based only on the molecular structure features and is not dependent on single threshold values for P, B and T, are compared with those obtained by the on-line US-EPA PBT Profiler.
Such studies may employ, along with the available experimental toxicity data to a species, molecular structure features and physicochemical properties of chemicals as independent variables for prediction of the toxicity profile against another closely related species.
A general conclusion, however, can be made about the SAR in the synthesized series of hydrazones 1-11 A-K) that the integrated molecular structure features are responsible for the elucidated antiproliferative activity irrespective of the building blocks incorporated in individual molecules.
However, our kernels, designed to weigh information according to what is considered a priori to be relevant (molecular structure features in the fingerprints, differentially expressed genes in profiles, known protein-protein interactions), have shown poor results when used to train kernel classifiers.
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This technology produces copolymers with a different molecular structure, yielding features and properties different from those made by the conventional high-pressure autoclave route.These differences point to new cost-effective ways for compounders and processors to modify engineering plastics and to prepare masterbatches.
Existing model libraries of ProcessBuilder were adapted to employ the Variable Molecular Structure Compound feature (VMSC) of gSAFT during process optimization.
LMWH are derived from unfractionated heparin by diverse ways of depolymerization, resulting in different mixtures with different molecular structures and features.
This amphiphilic prodrug has a unique molecular structure with prominent features, including strong practicability for methacrylate prodrug monomer, high drug loading rate (up to 23 wt%), adjustable proportion of hydrophobic and hydrophobic portions, superior stability in aqueous solution, and easy access to cells.
IgYs, distinct from IgGs in molecular structure and biochemical features, have many attractive biochemical, immunological and production advantages over IgGs and are suitable for further development [ 25].
A complete set of whole molecular descriptors encode information on general structure features such as molecular size and shape, as well as specific information on skeletal variation and complexity.
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