定量方法
Reproducibility of AI models on biomedical data still stays as a major concern for their acceptance into the clinical practice. Initiatives for reproducibility in the development of predictive biomarkers as the MAQC Consortium already…
Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…
Post-traumatic epilepsy (PTE) is a life-long complication of traumatic brain injury (TBI) and is a major public health problem that has an estimated incidence that ranges from 2%-50%, depending on the severity of the TBI. Currently, the…
Background:Cognitive assessments represent the most common clinical routine for the diagnosis of Alzheimer's Disease (AD). Given a large number of cognitive assessment tools and time-limited office visits, it is important to determine a…
Elongation is a fundament process in amyloid fiber growth, which is normally characterized by a linear relationship between the fiber elongation rate and the monomer concentration. However, in high concentration regions, a sub-linear…
Background: Depression in people with bipolar disorder is a major cause of long-term disability, possibly leading to early mortality and currently, limited safe and effective therapies exist. A double-blinded randomized placebo-controlled…
We report on a method that classifies heart beats according to a set of 13 classes, including cardiac arrhythmias. The method localises the QRS peak complex to define each heart beat and uses a neural network to infer the patterns…
Ecological systems can often be characterised by changes among a finite set of underlying states pertaining to individuals, populations, communities, or entire ecosystems through time. Owing to the inherent difficulty of empirical field…
Histopathological diagnoses of tumors in tissue biopsy after Hematoxylin and Eosin (H&E) staining is the gold standard for oncology care. H&E staining is slow and uses dyes, reagents and precious tissue samples that cannot be reused.…
Cancer immunotherapy provides durable clinical benefit in only a small fraction of patients, particularly due to a lack of reliable biomarkers for accurate prediction of treatment outcomes and evaluation of response. Here, we demonstrate…
We present a novel approach to tackle explainability of deep graph networks in the context of molecule property prediction tasks, named MEG (Molecular Explanation Generator). We generate informative counterfactual explanations for a…
The aim of this study was to build a modelling framework that would allow us to be able to detect mastitis infections before they would normally be found by farmers through the introduction of machine learning techniques. In the making of…
Retrosynthesis is the process of recursively decomposing target molecules into available building blocks. It plays an important role in solving problems in organic synthesis planning. To automate or assist in the retrosynthesis analysis,…
Motivation: Estimating model parameters from experimental observations is one of the key challenges in systems biology and can be computationally very expensive. While the Julia programming language was recently developed as a high-level…
A central need in the field of astrobiology is generalized perspectives on life that make it possible to differentiate abiotic and biotic chemical systems. A key component of many past and future astrobiological measurements is the…
We present a novel approach for imaging the beating embryonic heart, based on combining two independent imaging channels to capture the full spatio-temporal information of the moving 3D structure. High-resolution, optically-sectioned image…
Coral reef ecosystems support significant biological activities and harbor huge diversity, but they are facing a severe crisis driven by anthropogenic activities and climate change. An important behavioral trait of the coral holobiont is…
Cryo-electron tomography (cryo-ET) is an emerging technology for the 3D visualization of structural organizations and interactions of subcellular components at near-native state and sub-molecular resolution. Tomograms captured by cryo-ET…
How may exposure risks to SARS-CoV-2 be assessed quantitatively? The material metabolism approach of Industrial Ecology can be applied to the mass flows of these virions by their numbers, as a key step in the analysis of the current…
Nutrient limitation is one of the most common triggers of antibiotic tolerance and persistence. Here, we present two microfluidic setups to study how spatial and temporal variation in nutrient availability lead to increased survival of…