定量方法
The physical-chemical property of molecular collision cross section (CCS) is increasingly used to assist in small molecule identification; however, questions remain regarding the extent of its true utility in contributing to such…
An eutactic star, in a n-dimensional space, is a set of N vectors which can be viewed as the projection of N orthogonal vectors in a N-dimensional space. By adequately associating a star of vectors to a particular sea urchin we propose that…
The Implicit Association Test (IAT) is a common behavioral paradigm to assess implicit attitudes in various research contexts. In recent years, researchers have sought to collect IAT data remotely using online applications. Compared to…
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused an ongoing pandemic infecting 219 million people as of 10/19/21, with a 3.6% mortality rate. Natural selection can generate favorable mutations with improved fitness…
Orca (Orcinus orca) is known for complex vocalisation. Their social structure consists of pods and clans sharing unique dialects due to geographic isolation. Sound type repertoires are fundamental for monitoring orca populations and are…
After emerging in China in late 2019, the novel Severe acute respiratory syndrome-like coronavirus 2 (SARS-CoV-2) spread worldwide and as of early 2021, continues to significantly impact most countries. Only a small number of coronaviruses…
Boltzmann machines are energy-based models that have been shown to provide an accurate statistical description of domains of evolutionary-related protein and RNA families. They are parametrized in terms of local biases accounting for…
Biopolymer gels, such as those made out of fibrin or collagen, are widely used in tissue engineering applications and biomedical research. Moreover, fibrin naturally assembles into gels in vivo during wound healing and thrombus formation.…
As a novel biomarker from the Fanconi anemia complementation group (FANC) family, FANCA is antigens to Leukemia cancer. The overexpression of FANCA has predicted the second most common cancer in the world that is responsible for…
This paper presents a method to identify substructures in NMR spectra of mixtures, specifically 2D spectra, using a bespoke image-based Convolutional Neural Network application. This is done using HSQC and HMBC spectra separately and in…
Recently, it has become feasible to generate large-scale, multi-tissue gene expression data, where expression profiles are obtained from multiple tissues or organs sampled from dozens to hundreds of individuals. When traditional clustering…
The phylogenetic tree space introduced by Billera, Holmes, and Vogtmann (BHV tree space) is a CAT(0) continuous space that represents trees with edge weights with an intrinsic geodesic distance measure. The geodesic distance measure unique…
Cox analysis is a common clinical data analysis technique to link valuable variables to clinical outcomes including dead and relapse. In the omics era, Cox model batch processing is a basic strategy for screening clinically relevant…
Recently, utilizing reinforcement learning (RL) to generate molecules with desired properties has been highlighted as a promising strategy for drug design. A molecular docking program - a physical simulation that estimates protein-small…
The increasing prevalence of SARS-CoV-2 variants with spike mutations has raised concerns owing to higher transmission rates, disease severity, and escape from neutralizing antibodies. Rapid and accurate detection of SARS-CoV-2 variants…
Generating novel drug molecules with desired biological properties is a time consuming and complex task. Conditional generative adversarial models have recently been proposed as promising approaches for de novo drug design. In this paper,…
Introduction: Cervical cancer is the third most prevalent cancer among women in Brunei Darussalam. This study aims to report the overall survival rates and associated factors of patients diagnosed with malignant cervical cancer in Brunei…
Docking-based virtual screening (VS process) selects ligands with potential pharmacological activities from millions of molecules using computational docking methods, which greatly could reduce the number of compounds for experimental…
Attractant-based trap networks targeting insects are ubiquitous worldwide. These networks have diverse targets, goals, and efficiencies, but all are constrained by practical considerations like cost and available lures. An important way to…
A recent article by Weidner et al. [2021] presents a method to extract graph properties that are predictive of the dynamical behavior of multivariate, discrete models of biochemical regulation. In other words, a method that uses only…