Related papers: Repurposing of Ring Framework through TR screening
Repurposing existing drugs to treat new diseases is a cost-effective alternative to de novo drug development, but there are millions of potential drug-disease combinations to be considered with only a small fraction being viable. In silico…
Response-adaptive randomization (RAR) has been studied extensively in conventional, single-stage clinical trials, where it has been shown to yield ethical and statistical benefits, especially in trials with many treatment arms. However, RAR…
Despite improved rational drug design and a remarkable progress in genomic, proteomic and high-throughput screening methods, the number of novel, single-target drugs fell much behind expectations during the past decade. Multi-target drugs…
A novel method combining maximum entropy principle, the Bayesian-inference of ensembles approach, and the optimization of empirical forward models is presented. Here we focus on the Karplus parameters for RNA systems, which relate the…
We present the first deterministic, finite-step algorithm for exact tensor ring (TR) decomposition, addressing an open question about the existence of such procedures. Our method leverages blockwise simultaneous diagonalization to recover…
Background: A partially random target selection method was developed to design and produce affinity reagents (target) to any protein query. It is based on the recent concept of Proteomic Code (for review see Biro, 2007 [1]) which suggests…
Clinical trials in the medical domain are constrained by budgets. The number of patients that can be recruited is therefore limited. When a patient population is heterogeneous, this creates difficulties in learning subgroup specific…
The XTR (conteXtual Token Retrieval) algorithm is a modification to ColBERT retrieval that avoids the costly step of fully gathering and reranking the candidates' embeddings by imputing their missing similarity scores from the initial token…
Drug optimization has become increasingly crucial in light of fast-mutating virus strains and drug-resistant cancer cells. Nevertheless, it remains challenging as it necessitates retaining the beneficial properties of the original drug…
Accurate classification of sleep disorders, particularly insomnia and sleep apnea, is important for reducing long term health risks and improving patient quality of life. However, clinical sleep studies are resource intensive and are…
Drug repositioning (DR) refers to identification of novel indications for the approved drugs. The requirement of huge investment of time as well as money and risk of failure in clinical trials have led to surge in interest in drug…
We devise an approach for targeted molecular design, a problem of interest in computational drug discovery: given a target protein site, we wish to generate a chemical with both high binding affinity to the target and satisfactory…
Accurate diagnostic tests are essential for effective screening and treatment. However, individual biomarkers often fail to provide sufficient diagnostic accuracy, as they typically capture only one aspect of the complex disease process.…
PubMed's current search interface makes it tedious to systematically search for medical and research literature on drugs that could potentially be used to treat a given pathology, including patients with genetically altered tumors. This is…
We propose a new kind of toroidal trap, designed for ultracold atoms. It relies on a combination of a magnetic trap for rf-dressed atoms, which creates a bubble-like trap, and a standing wave of light. This new trap is well suited for…
Multi-object Tracking (MOT) generally can be split into two sub-tasks, i.e., detection and association. Many previous methods follow the tracking by detection paradigm, which first obtain detections at each frame and then associate them…
The Dunnett procedure compares several treatment or dose groups with a control group, while controlling the familywise error rate. When deviations from the normal distribution and heterogeneous variances occur, the nominal $\alpha$ level…
Fast and accurate prediction of optimal crystal structure, topology, and microstructures is important for accelerating the design and discovery of new materials. A challenge lies in the exorbitantly large structural and compositional space…
Fragment-Based Drug Discovery (FBDD) is a popular approach in early drug development, but designing effective linkers to combine disconnected molecular fragments into chemically and pharmacologically viable candidates remains challenging.…
The Robust Conjugate Direction Search (RCDS) method is used to optimize the collimation system for Rapid Cycling Synchrotron (RCS) of the Chinese Spallation Neutron Source (CSNS). The parameters of secondary collimators are optimized for a…