In this work we compiled the key properties melting point, bulk modulus, shear modulus, Young׳s modulus, density, hardness, Poisson׳s ratio and structure/space group from the widespread literature data for the most relevant compound types, i.e. borides, carbo-borides, carbides, oxides, nitrides and intermetallic phases.
These observations highlight that for automatically generated patent chemistry databases strategies need to be devised that allow for the most relevant compounds to be easily identified amongst all the compounds associated with a given patent in these databases.
A set of 91 most relevant compounds was selected by applying a Fisher ratio cut-off approach and most of them were selectively removed by one of the cigarette filter types.
The results from NTS, i.e., checking presence/absence and semi-quantitative information about these compounds in a large number of samples by NORMAN partners in different countries, will help in the future to prioritize the most relevant compounds for possible further evaluation as substances of potential regulatory concern.
Investigations on occurrence, bioaccumulation and effects in non target organisms are fragmentary, particularly for marine ecosystems, and related to only a limited number over the 4000 substances classified as pharmaceuticals: hence, there is a urgent need to prioritize the environmental sustainability of the most relevant compounds.
One limitation of this approach is that the most relevant compounds for testing may sometimes not be commercially available.
A ranked structure of the most relevant tissues, diseases, and compounds was thus pre-computed for each signature.
This first step can be achieved using the following algorithm: The most relevant hypotheses for a query compound x can be found by calling the function for the root of the network: relevantHypothese s x = FindRelevantHypotheses h 0, x.
The lipophilic antioxidants, which are most relevant in this context, are compounds of the vitamin E group (tocopherols and tocotrienols) and ubiquinones.
Perhaps the most relevant property of these two compounds is their ability to induce oxidative stress, an effect that accounts for much of the anticancer efficacy of phospho-NSAIDs, including phospho-aspirin [ 29].
a. Local lazy regression (LLR): For each test compound, only one most relevant descriptor was selected to build a linear equation based on k nearest neighbors.
