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Abstract: Understanding how the various factors in a supply chain contribute to the overall performance of its operation has become an important topic in management science research nowadays. In this paper, we propose and apply a two-stage methodology to an industrial survey data set to investigate relations among the key factors in a supply chain model. Precisely, we use the PC-algorithm to discover the connectivity relation among the factors of interest in the supply chain model. Critical factors in the model are then identified, and we then utilize the neural network to quantify the relative importance of some of the factors in predicting the critical factors. An advantage of our proposed method is that it frees up the researcher from making subjective decisions in his or her analysis, for example, from the needs of specifying plausible initial path models required in a structural equation modeling analysis (which is usually used in business and management research) and of selecting factors for the subsequent predictive modeling. We envision that the analysis results can aid a decision maker in optimizing the system performance by suggesting to the decision maker which ones of the factors are the important ones that he or she should devote more resources and efforts on. [Copyright &y& Elsevier]

The identification of proton contacts from NOE spectra remains the major bottleneck in NMR protein structure calculations. We describe an automated assignment-free system for deriving proton contact probabilities from NOESY peak lists that can be viewed as a quantitative extension of manual assignment techniques. Rather than assigning contacts to NOESY crosspeaks, a rigorous Bayesian methodology is used to transform initial proton contact probabilities derived from a set of 2992 protein structures into posterior probabilities using the observed crosspeaks as evidence. Given a target protein, the Bayesian approach is used to derive probabilities for all possible proton contacts. We evaluated the accuracy of this approach at predicting proton contacts on 60 15N separated NOESY and 13C separated NOESY datasets simulated from experimentally determined NMR structures and compared it to CYANA, an established method for proton constraint assignment. On average, at the highest confidence level, our method accurately identifies 3.16/3.17 long range contacts per residue and 12.11/12.18 interresidue proton contacts per residue. These accuracies represent a significant increase over the performance of CYANA on the same data set. On a difficult real dataset that is publicly available, the coverage is lower but our method retains its advantage in accuracy over CANDID/CYANA. The algorithm is publicly available via the Protinfo NMR webserver . [ABSTRACT FROM AUTHOR]