With the exponential rise in the number of viable novel drug targets, computational methods are being increasingly applied to accelerate the drug discovery process. Virtual High Throughput Screening (vHTS) is one such established methodology to identify drug candidates from large collection of compound libraries. Although it complements the expensive and time consuming High Throughput Screening...

There are often multiple explanations for someone’s behavior, but people generally find some behavior explanations more satisfying than others. We hypothesized that people prefer behavior explanations that are simple and rational. We present a computational account of behavior explanation that captures these two principles. Our computational account is based on decision networks. Decision netwo...

9.1. Problem Setting .......................................................................................................................1 9.2. The Gauss Algorithm...............................................................................................................2 9.2.1. Sequential Algorithm..............................................................................................

Based on an example, we describe how outcomes of computational experiment can be employed for study of stability of numerical algorithm, provided that related theoretical propositions are not proven yet. More precisely, we propose a systematic and generalized methodology, how to investigate the influence of the weight functions α(x) and β(x), present in the integral boundary conditions, on the ...

3X, which stands for eXecuting eXploratory eXperiments, is a software tool to ease the burden of conducting computational experiments. 3X provides a standard yet configurable structure to execute a wide variety of experiments in a systematic way. 3X organizes the code, inputs, and outputs for an experiment, records results, and lets users visualize result data in a variety of ways. Its interfac...

In a recent study, we reported the results of a new decision making paradigm in which the participants were asked to balance between their speed and accuracy to maximize the total reward they achieve during the experiment. The results of computational modeling provided strong evidence suggesting that the participants used time-varying decision boundaries. Previous theoretical studies of the opt...

Research about equivalence has commonly utilized human participants as experimental subjects. More recently, computational models have been capable of reproducing performances observed in experiments with humans. The computational model often utilized is called RELNET, and it simulates training and testing trials of conditional relations using the matching-to-sample procedure (MTS). The differe...