output
20142025
most citedNWChem: Past, Present, and Future

699 citations

20 papers

cs.AI2025★ 1 cited

The Open Syndrome Definition

Ana Paula Gomes Ferreira, Aleksandar Anžel, Izabel Oliva Marcilio de Souza +6

Case definitions are essential for effectively communicating public health threats. However, the absence of a standardized, machine-readable format poses significant challenges to…

stat.ML2025★ 4 cited

Clinical characteristics, complications and outcomes of critically ill patients with Dengue in Brazil, 2012-2024: a nationwide, multicentre cohort study

Igor Tona Peres, Otavio T. Ranzani, Leonardo S. L. Bastos +4

Background. Dengue outbreaks are a major public health issue, with Brazil reporting 71% of global cases in 2024. Purpose. This study aims to describe the profile of severe dengue p…

stat.AP2024

Markov switching zero-inflated space-time multinomial models for comparing multiple infectious diseases

Dirk Douwes-Schultz, Alexandra M. Schmidt, Laís Picinini Freitas +1

Univariate zero-inflated models are increasingly being used to account for excess zeros in spatio-temporal infectious disease counts. However, the multivariate case is challenging…

q-bio.NC2023★ 10 cited

Neural complexity -- Statistical-mechanical approach of human electroencephalograms

Dimitri Marques Abramov, Constantino Tsallis, Henrique Santos Lima

The brain is a complex system whose understanding enables potentially deeper approaches to mental phenomena. Dynamics of wide classes of complex systems have been satisfactorily de…

q-bio.PE2022★ 22 cited

Modeling nonlocal behavior in epidemics via a reaction-diffusion system incorporating population movement along a network

Malú Grave, Alex Viguerie, Gabriel F. Barros +3

The outbreak of COVID-19, beginning in 2019 and continuing through the time of writing, has led to renewed interest in the mathematical modeling of infectious disease. Recent works…

stat.ME2021★ 44 cited

Evaluation of Logistic Regression Applied to Respondent-Driven Samples: Simulated and Real Data

Sandro Sperandei, Leonardo S. Bastos, Marcelo Ribeiro-Alves +2

Objective: To investigate the impact of different logistic regression estimators applied to RDS samples obtained by simulation and real data. Methods: Four simulated populations we…

stat.AP2020★ 24 cited

Estimation of COVID-19 under-reporting in Brazilian States through SARI

Balthazar Paixão, Lais Baroni, Rebecca Salles +7

Due to its impact, COVID-19 has been stressing the academy to search for curing, mitigating, or controlling it. However, when it comes to controlling, there are still few studies f…

physics.chem-ph2020★ 699 cited

NWChem: Past, Present, and Future

E. Aprà, E. J. Bylaska, W. A. de Jong +111

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…

physics.soc-ph2019

Prime stars multiplexes

Alfonso Allen-Perkins, Roberto F. S. Andrade

This work investigates the class of prime star multiplexes, in which each of its layers , , consists of a regular cycle graph where any node has neighbor…

physics.soc-ph2019★ 7 cited

Fractional dynamics on circulant multiplex networks: optimal coupling and long-range navigation for continuous-time random walks

Alfonso Allen-Perkins, Roberto F. S. Andrade

This work analyzes fractional continuous-time random walks on two-layer multiplexes. A node-centric dynamics is used, in which it is assumed a Poisson distribution of a walker to b…

q-bio.PE2019★ 30 cited

Estimating effective population size changes from preferentially sampled genetic sequences

Michael D. Karcher, Marc A. Suchard, Gytis Dudas +1

Coalescent theory combined with statistical modeling allows us to estimate effective population size fluctuations from molecular sequences of individuals sampled from a population…

q-bio.PE2018★ 52 cited

A survey of biodiversity informatics: Concepts, practices, and challenges

Luiz M. R. Gadelha, Pedro C. de Siracusa, Artur Ziviani +10

The unprecedented size of the human population, along with its associated economic activities, have an ever increasing impact on global environments. Across the world, countries ar…

stat.CO2018

Fast approaches for Bayesian estimation of size of hard-to-reach populations using Network Scale-up

Leonardo S Bastos, Natalia S Paiva, Francisco I Bastos +1

The Network scale-up method is commonly used to overcome difficulties in estimating the size of hard-to-reach populations. The method uses indirect information based on social netw…

math.DS2018★ 2 cited

Oscillatory regimes in a mosquito population model with larval feedback on egg hatching

Martin Strugarek, Laetitia Dufour, Nicolas Vauchelet +3

Understanding mosquitoes life cycle is of great interest presently because of the increasing impact of vector borne diseases in several countries. There is evidence of oscillations…

stat.AP2017★ 133 cited

Modelling reporting delays for disease surveillance data

Leonardo Bastos, Theodoros Economou, Marcelo Gomes +6

One difficulty for real-time tracking of epidemics is related to reporting delay. The reporting delay may be due to laboratory confirmation, logistic problems, infrastructure diffi…

q-bio.QM2016★ 358 cited

Boosting Docking-based Virtual Screening with Deep Learning

Janaina Cruz Pereira, Ernesto Raul Caffarena, Cicero dos Santos

In this work, we propose a deep learning approach to improve docking-based virtual screening. The introduced deep neural network, DeepVS, uses the output of a docking program and l…

q-bio.PE2015

Imperfect Testing of Individuals for Infectious Diseases: Mathematical Model and Analysis

Daniel A. M. Villela

Testing symptomatic individuals for a disease can deliver treatment resources, if tests' results turn positive, which speeds up their treatment and might also decrease individuals'…

stat.ME2015★ 15 cited

Combining probability distributions: Extending the logarithmic pooling approach

Luiz Max de Carvalho, Daniel A. M. Villela, Flavio Codeco Coelho +1

Combining distributions is an important issue in decision theory and Bayesian inference. Logarithmic pooling is a popular method to aggregate expert opinions by using a set of weig…

stat.AP2014★ 64 cited

Obtaining adjusted prevalence ratios from logistic regression model in cross-sectional studies

Leonardo Soares Bastos, Raquel de Vasconcellos Carvalhaes de Oliveira, Luciane de Souza Velasque

In the last decades, it has been discussed the use of epidemiological prevalence ratio (PR) rather than odds ratio as a measure of association to be estimated in cross-sectional st…

q-bio.QM2014★ 8 cited

Estimation of genetic diversity in viral populations from next generation sequencing data with extremely deep coverage

Jean P. Zukurov, Sieberth do Nascimento-Brito, Angela C. Volpini +3

In this paper we propose a method and discuss its computational implementation as an integrated tool for the analysis of viral genetic diversity on data generated by high-throughpu…