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The proteins of the Major Histocompatibility Complex (MHC) play a key role in the functioning of the adaptive immune system, and the identification of peptides that bind to them is an important step in the development of vaccines and understanding the mechanisms of autoimmune diseases. Today, there are a number of methods for predicting the binding of a particular MHC allele to a peptide. One of the best such methods is NetMHCpan-4.0, which is based on an ensemble of artificial neural networks. This paper presents a methodology for qualitatively improving the underlying neural network underlying NetMHCpan-4.0. The proposed method uses the ensemble construction technique and adds as input an estimate of the Potts model taken from static mechanics, which is a generalization of the Ising model. In the general case, the model reflects the interaction of spins in the crystal lattice. Within the framework of the proposed method, the model is used to better represent the physical nature of the interaction of proteins included in the complex. To assess the interaction of the MHC + peptide complex, we use a two-dimensional Potts model with 20 states (corresponding to basic amino acids). Solving the inverse problem using data on experimentally confirmed interacting pairs, we obtain the values of the parameters of the Potts model, which we then use to evaluate a new pair of MHC + peptide, and supplement this value with the input data of the neural network. This approach, combined with the ensemble construction technique, allows for improved prediction accuracy, in terms of the positive predictive value (PPV) metric, compared to the baseline model.

This article solves the problem of developing a technology for collecting initial data for building models for assessing the functional state of a person. This condition is assessed by the pupil response of a person to a change in illumination based on the pupillometry method. This method involves the collection and analysis of initial data (pupillograms), presented in the form of time series characterizing the dynamics of changes in the human pupils to a light impulse effect. The drawbacks of the traditional approach to the collection of initial data using the methods of computer vision and smoothing of time series are analyzed. Attention is focused on the importance of the quality of the initial data for the construction of adequate mathematical models. The need for manual marking of the iris and pupil circles is updated to improve the accuracy and quality of the initial data. The stages of the proposed technology for collecting initial data are described. An example of the obtained pupillogram is given, which has a smooth shape and does not contain outliers, noise, anomalies and missing values. Based on the presented technology, a software and hardware complex has been developed, which is a collection of special software with two main modules, and hardware implemented on the basis of a Raspberry Pi 4 Model B microcomputer, with peripheral equipment that implements the specified functionality. To evaluate the effectiveness of the developed technology, models of a single-layer perspetron and a collective of neural networks are used, for the construction of which the initial data on the functional state of intoxication of a person were used. The studies have shown that the use of manual marking of the initial data (in comparison with automatic methods of computer vision) leads to a decrease in the number of errors of the 1st and 2nd years of the kind and, accordingly, to an increase in the accuracy of assessing the functional state of a person. Thus, the presented technology for collecting initial data can be effectively used to build adequate models for assessing the functional state of a person by pupillary response to changes in illumination. The use of such models is relevant in solving individual problems of ensuring transport security, in particular, monitoring the functional state of drivers.

A previously developed model that describes the dynamics of social tension in a society divided into two groups: the elite and the people was considered. This model took into account the impact of economic situation changes and the elite–people interaction. The model has been modified by including in the equation describing the tension of the people, a term that takes into account the adaptation of the people to the current situation.

The model coefficients estimation is an important task, the solution of which allows obtaining information about the nature of the interaction between elite and people. We believe that the solution of the system of model equations with optimal coefficients is closest to the values of the indicator characterizing social tension. We used the normalized level of homicide rate as an indicator of social tension.

The model contains seven coefficients. Two coefficients characterizing the influence of economic situation changes on elite and people are taken equal to each other and the same for all countries. We obtained their estimations using a simplified model that takes into account only the change in the economic situation and allows an analytical solution.

The Bayesian approach was used to estimate the remaining five coefficients of model for post-Soviet countries. The prior probability densities of the four coefficients for all countries under consideration were taken to be the same. The prior probability density of fifth coefficient was considered to depend on the regime of government (authoritarian or «transitional»). We assumed that the calculated tension matches with the corresponding indicator of tension in cases where the difference between them does not exceed 5%.

The calculations showed that for the post-Soviet countries, a good coincidence was obtained between the calculated values of the people tension and the normalized level of homicide rate. The coincidence is satisfactory only on average.

The following main results was obtained at the work: under the influence of some «significant» events in 40% of post-Soviet countries, there was a rapid change in the nature of interaction between the elite and the people; regional feature have some influence on the elite–people interaction; the type of government does not significantly affect the elite–people interaction; the method for assessing the stability of the country by the value of the model coefficients is proposed.

In single-photon emission computed tomography (SPECT), patients with bone disorders receive a radiopharmaceutical (RP) that accumulates selectively in pathological lesions. Accurate quantification of RP uptake plays a critical role in disease staging, prognosis, and the development of personalized treatment strategies. Traditionally, the accuracy of quantitative assessment is evaluated through in vitro clinical trials using the standardized physical NEMA IEC phantom, which contains six spheres simulating lesions of various sizes. However, such experiments are limited by high costs and radiation exposure to researchers. This study proposes an alternative in silico approach based on numerical simulation using a digital twin of the NEMA IEC phantom. The computational framework allows for extensive testing under varying conditions without physical constraints. Analogous to clinical protocols, we calculated the recovery coefficient (RC_max), defined as the ratio of the maximum activity in a lesion to its known true value. The simulation settings were tailored to clinical SPECT/CT protocols involving ^99mTc for patients with bone-related diseases. For the first time, we systematically analyzed the impact of lesion-to-background ratios and post-reconstruction filtering on RC_max values. Numerical experiments revealed the presence of edge artifacts in reconstructed lesion images, consistent with those observed in both real NEMA IEC phantom studies and patient scans. These artifacts introduce instability into the iterative reconstruction process and lead to errors in activity quantification. Our results demonstrate that post-filtering helps suppress edge artifacts and stabilizes the solution. However, it also significantly underestimates activity in small lesions. To address this issue, we introduce post-reconstruction correction factors derived from our simulations to improve the accuracy of quantification in lesions smaller than 20 mm in diameter.

Physical-mathematical model of drying of coal particles in the gas stream and the results of calculating the drying of the particles of brown coal in a drying tube are presented. It is shown that for the drying of coal can be used superheated water vapor. Thermodynamic model of drying of a particle in a drying tube are proposed. It allows to conduct a preliminary assessment of parameters of drying process.

The article is devoted to description the author's method of multidimensional analysis for generate an predictive assessment of organizations’ credit risk, based on the credit history information, which taking into account value and period of credit. An example of credit risk assessment is given.

The article presents the results of computer simulations aimed to assess the influence of tree spatial locations (planting schemes) on the productivity and the dynamics of soil fertility in forest plantations. The growth of aspen (Populus tremula L.) in plantations with short rotation (30 years) was simulated in the EFIMOD system of models with the soil and climatic data matching forested lands in the Mari El Republic. The outcome reveals that higher biomass rates, increase in soil organic matter stocks, and the minimal loss of soil nitrogen can be obtained when the distance between trees in the row equals 1–4 m and 4–6 м in aisles.

The most important principle of military science and border security is the principle of concentrating the main efforts on the main directions and tasks. At the tactical level, there are many mathematical models for computing the optimal resource allocation by directions and objects, whereas at the state level there are no corresponding models. Using the statistical data on the results of the protection of the US border, an exponential type border production function parameter is calculated that reflects the organizational and technological capabilities of the border guard. The production function determines the dependence of the probability of detaining offenders from the density of border guards per kilometer of the border. Financial indicators in the production function are not taken into account, as the border maintenance budget and border equipment correlate with the number of border agents. The objective function of the border guards is defined — the total prevented damage from detained violators taking into account their expected danger for the state and society, which is to be maximized. Using Slater's condition, the solution of the problem was found — optimal density of border guard was calculated for the regions of the state. Having a model of resource allocation, the example of the three border regions of the United States has also solved the reverse problem — threats in the regions have been assessed based on the known allocation of resources. The expected danger from an individual offender on the US-Canada border is 2–5 times higher than from an offender on the US-Mexican border. The results of the calculations are consistent with the views of US security experts: illegal migrants are mostly detained on the US-Mexican border, while potential terrorists prefer to use other channels of penetration into the US (including the US-Canadian border), where the risks of being detained are minimal. Also, the results of the calculations are consistent with the established practice of border protection: in 2013 the number of border guards outside the checkpoints on the US-Mexican border increased by 2 times compared with 2001, while on the American-Canadian border — 4 times. The practice of border protection and the views of specialists give grounds for approval of the verification of the model.

The article deals with the development of a methodological approach to forecasting and modeling the socioeconomic consequences of viral epidemics in conditions of heterogeneous economic development of territorial systems. The relevance of the research stems from the need for rapid mechanisms of public management and stabilization of adverse epidemiological situation, taking into account the spatial heterogeneity of the spread of COVID-19, accompanied by a concentration of infection in large metropolitan areas and territories with high economic activity. The aim of the work is to substantiate a methodology to assess the spatial heterogeneity of the spread of coronavirus infection, find poles of its growth, emerging spatial clusters and zones of their influence with the assessment of inter-territorial relationships, as well as simulate the effects of worsening epidemiological situation on the dynamics of economic development of regional systems. The peculiarity of the developed approach is the spatial clustering of regional systems by the level of COVID-19 incidence, conducted using global and local spatial autocorrelation indices, various spatial weight matrices, and L.Anselin mutual influence matrix based on the statistical information of the Russian Federal State Statistics Service. The study revealed a spatial cluster characterized by high levels of infection with COVID-19 with a strong zone of influence and stable interregional relationships with surrounding regions, as well as formed growth poles which are potential poles of further spread of coronavirus infection. Regression analysis using panel data not only confirmed the impact of COVID-19 incidence on the average number of employees in enterprises, the level of average monthly nominal wages, but also allowed to form a model for scenario prediction of the consequences of the spread of coronavirus infection. The results of this study can be used to form mechanisms to contain the coronavirus infection and stabilize socio-economic at macroeconomic and regional level and restore the economy of territorial systems, depending on the depth of the spread of infection and the level of economic damage caused.

Predicting novel drug properties is fundamental to polypharmacology, repositioning, and the study of biologically active substances during the preclinical phase. The use of machine learning, including deep learning methods, for the identification of drug – target interactions has gained increasing popularity in recent years.

The objective of this study was to develop a method for recognizing psychotropic effects and drug mechanisms of action (drug – target interactions) based on an analysis of the bioelectrical activity of the brain using artificial intelligence technologies.

Intracranial electroencephalographic (EEG) signals from rats were recorded (4 channels at a sampling frequency of 500 Hz) after the administration of psychotropic drugs (gabapentin, diazepam, carbamazepine, pregabalin, eslicarbazepine, phenazepam, arecoline, pentylenetetrazole, picrotoxin, pilocarpine, chloral hydrate). The signals were divided into 2-second epochs, then converted into $2000\times 4$ images and input into an autoencoder. The output of the bottleneck layer was subjected to classification and clustering using t-SNE, and then the distances between resulting clusters were calculated. As an alternative, an approach based on feature extraction with dimensionality reduction using principal component analysis and kernel support vector machine (kSVM) classification was used. Models were validated using 5-fold cross-validation.

The classification accuracy obtained for 11 drugs during cross-validation was $0.580 \pm 0.021$, which is significantly higher than the accuracy of the random classifier $(0.091 \pm 0.045, p < 0.0001)$ and the kSVM $(0.441 \pm 0.035, p < 0.05)$. t-SNE maps were generated from the bottleneck parameters of intracranial EEG signals. The relative proximity of the signal clusters in the parametric space was assessed.

The present study introduces an original method for biopotential-mediated prediction of effects and mechanism of action (drug – target interaction). This method employs convolutional neural networks in conjunction with a modified selective parameter reduction algorithm. Post-treatment EEGs were compressed into a unified parameter space. Using a neural network classifier and clustering, we were able to recognize the patterns of neuronal response to the administration of various psychotropic drugs.