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Table 1 Top potential compounds for inhibition of platelet aggregation according to degree centrality of drug-target network Rank Compound Degree CAS NO.
Degree distribution: the compound degree distribution.
The kWalks was not iterated and the original compound degree weights (instead of the relevances computed by kWalks) were given as input weights to Takahashi Matsuyama's algorithm.
The third weight policy ('inflated compound degree weight') takes the square of the node weights defined by the second weight policy.
The parameter values having highest impact on the pathway inference accuracy are in this order: compound degree weight and inflated compound degree weight outperform unit weight, directed network outperforms undirected network, kWalks supersedes hybrid approaches and three kWalk iterations are better than a single run.
Hence kWalks is able to assign edge relevances even without a dedicated weight policy for the problem at hand, such as the compound degree weighting scheme for metabolic networks.
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Conservation of the lead compound's degree of complexity proceeds usually through isosteric exchanges or functional inversions and can be considered the analogical approach.
But making that push while also seeking steep reductions in emissions of the heat-trapping gases that cause global warming significantly compounds the degree of difficulty.
The weighting schemes included weighting compounds by degree, as described by Croes et al. in 2006, and weighting RPAIRs by their classification type.
Unlike simple phenolic compounds, the degree of hydroxylation does not predict the level of toxicity to microorganisms [ 1].
Hence, in a certain degree, compound 8a might have cytotoxicity selectively towards Hela.
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