Prediction of probability distributions of molecular properties: towards more efficient virtual screening and better understanding of compound representations.

Various in silico approaches to predict activity and properties of chemical compounds constitute nowadays the basis of computer-aided drug design. While there is a general focus on the predictions of values, mathematically more appropriate is the prognosis of probability distributions, which offers additional possibilities, such as the evaluation of uncertainty, higher moments, and quantiles. In this study, we applied the Hierarchical Correlation Reconstruction approach to assess several ADMET properties of chemical compounds.

Impact of the healthcare potential in the European countries on infections and mortality caused by Covid-19.

The COVID-19 outbreak posed several challenges to healthcare professionals in treating patients: limiting the spread of infection; develop appropriate short-term strategies; and formulating long-term plans. Each of the affected countries had specific capacities before the outbreak began. This potential may have helped reduce the spread of the disease and should help reduce its impact.

Multi-feature evaluation of financial contagion.

Financial contagion refers to the spread of market turmoils, for example from one country or index to another country or another index. It is standardly assessed by modelling the evolution of the correlation matrix, for example of returns, usually after removing univariate dynamics with the GARCH model. However, significant events like crises visible in one financial market are usually reflected in other financial markets/countries simultaneously in several dimensions, i.

Determination of the Inaccuracies of Calculated EEG Indices.

The data obtained as a result of an EEG measurement are burdened with inaccuracies related to the measurement process itself and the need to remove recorded disturbances. The article presents an example of how to calculate the Approach-Withdraw Index (EEG-AW) and Memorization Index (MI) indices in such a way that their inaccuracy resulting from the removal of artifacts can be periodically calculated. This inaccuracy is expressed in terms of standard deviation.

Fundamental Bounds for Sequence Reconstruction from Nanopore Sequencers.

Nanopore sequencers are emerging as promising new platforms for high-throughput sequencing. As with other technologies, sequencer errors pose a major challenge for their effective use. In this paper, we present a novel information theoretic analysis of the impact of insertion-deletion (indel) errors in nanopore sequencers.