Identifying Substructures That Facilitate Compounds to Penetrate the Blood-Brain Barrier via Passive Transport Using Machine Learning Explainer Models.

The local interpretable model-agnostic explanation (LIME) method was used to interpret two machine learning models of compounds penetrating the blood-brain barrier. The classification models, Random Forest, ExtraTrees, and Deep Residual Network, were trained and validated using the blood-brain barrier penetration dataset, which shows the penetrability of compounds in the blood-brain barrier. LIME was able to create explanations for such penetrability, highlighting the most important substructures of molecules that affect drug penetration in the barrier.

Emerging extreme value and Fermi-Dirac distributions in the Lévy branching and annihilating process.

We study the dynamics of the branching and annihilating process with long-range interactions. Static particles generate an offspring and annihilate upon contact. The branching distance is supposed to follow a Lévy-like power-law distribution with P(r)∝1/r^{α}.

Moniliophthora perniciosa development: key genes involved in stress-mediated cell wall organization and autophagy.

Moniliophthora perniciosa is a basidiomycete responsible for the witches' broom disease in cacao (Theobroma cacao L.). Chitin synthase (CHS), chitinase (CHIT) and autophagy (ATG) genes have been associated to stress response preceding the formation of basidiocarp.

A 16S rDNA PCR-based theoretical to actual delta approach on culturable mock communities revealed severe losses of diversity information.

Background: Subunits of ribosomal RNA genes (rDNAs) characterized by PCR-based protocols have been the proxy for studies in microbial taxonomy, phylogenetics, evolution and ecology. However, relevant factors have shown to interfere in the experimental outputs in a variety of systems. In this work, a 'theoretical' to 'actual' delta approach was applied to data on culturable mock bacterial communities (MBCs) to study the levels of losses in operational taxonomic units (OTUs) detectability.

Genome sequence and effectorome of Moniliophthora perniciosa and Moniliophthora roreri subpopulations.

Background: The hemibiotrophic pathogens Moniliophthora perniciosa (witches' broom disease) and Moniliophthora roreri (frosty pod rot disease) are among the most important pathogens of cacao. Moniliophthora perniciosa has a broad host range and infects a variety of meristematic tissues in cacao plants, whereas M. roreri infects only pods of Theobroma and Herrania genera.

Stationary and dynamic critical behavior of the contact process on the Sierpinski carpet.

We investigate the critical behavior of a stochastic lattice model describing a contact process in the Sierpinski carpet with fractal dimension d=log8/log3. We determine the threshold of the absorbing phase transition related to the transition between a statistically stationary active and the absorbing states. Finite-size scaling analysis is used to calculate the order parameter, order parameter fluctuations, correlation length, and their critical exponents.

Critical short-time dynamics in a system with interacting static and diffusive populations.

We study the critical short-time dynamical behavior of a one-dimensional model where diffusive individuals can infect a static population upon contact. The model presents an absorbing phase transition from an active to an inactive state. Previous calculations of the critical exponents based on quasistationary quantities have indicated an unusual crossover from the directed percolation to the diffusive contact process universality classes.

Universality classes of the absorbing state transition in a system with interacting static and diffusive populations.

In this work, we study the critical behavior of a one-dimensional model that mimics the propagation of an epidemic process mediated by a density of diffusive individuals which can infect a static population upon contact. We simulate the above model on linear chains to determine the critical density of the diffusive population, above which the system achieves a statistically stationary active state, as a function of two relevant parameters related to the average lifetimes of the diffusive and nondiffusive populations. A finite-size scaling analysis is employed to determine the order parameter and correlation length critical exponents.

Damage-spreading dynamic scaling for the ising model on the sierpinski gasket fractal.

We study the relaxation towards equilibrium of the ferromagnetic Ising model on the Sierpinski gasket, which is a fractal lattice. We do this by performing Monte Carlo simulations, based on the heat-bath dynamics, and investigating the time evolution of the Hamming distance between two different configurations of the model. Starting with an initial damage created in all lattice sites, we calculate the average values of two quantities that characterize the relaxation process: the nonlinear damage relaxation time (tau), and the time for all sites to be undamaged at least once (tau(c)).