A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
DeepPurpose simplifies DL for DTI prediction.
Predicting drug-target interactions (DTI) is an essential part of the drug discovery process, which is an expensive process in terms of time and cost. Therefore, reducing DTI cost could lead to reduced healthcare costs for a patient. In addition, a precisely learned molecule representation in a DTI model could contribu…
A CNN-based method improves DTI of the human heart, compensating for motion.
HiGraphDTI learns drug and target representations from molecular graphs to predict DTIs.
Statistical analysis of Diffusion Tensor Imaging (DTI) data requires a computational framework that is both numerically tractable (to account for the high dimensional nature of the data) and geometric (to account for the nonlinear nature of diffusion tensors). Building upon earlier studies that have shown that a Rieman…
The task of drug-target interaction prediction holds significant importance in pharmacology and therapeutic drug design. In this paper, we present FRnet-DTI, an auto encoder and a convolutional classifier for feature manipulation and drug target interaction prediction. Two convolutional neural neworks are proposed wher…
Accurate prediction of drug-target interaction (DTI) is essential for in silico drug design. For the purpose, we propose a novel approach for predicting DTI using a GNN that directly incorporates the 3D structure of a protein-ligand complex. We also apply a distance-aware graph attention algorithm with gate augmentatio…
Deep model integrates MRI and DTI for autism severity prediction.
In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including deep learning models generally have binary endpoints, which could be an oversimp…
ISAAC audits deep models for drug-target interactions, revealing structural differences.
Tract-specific diffusion measures, as derived from brain diffusion MRI, have been linked to white matter tract structural integrity and neurodegeneration. As a consequence, there is a large interest in the automatic segmentation of white matter tract in diffusion tensor MRI data. Methods based on the tractography are p…
Framework integrates brain connectivity data for clinical predictions.
Enhances geodesic fiber tracking in white matter using modified metrics and tensor data.
Learning a similarity metric has gained much attention recently, where the goal is to learn a function that maps input patterns to a target space while preserving the semantic distance in the input space. While most related work focused on images, we focus instead on learning a similarity metric for neuroimages, such a…
Deep learning (DL) has shown great potential in medical image enhancement problems, such as super-resolution or image synthesis. However, to date, little consideration has been given to uncertainty quantification over the output image. Here we introduce methods to characterise different components of uncertainty in suc…
Diffusion-weighted magnetic resonance imaging (DWI) and fiber tractography are the only methods to measure the structure of the white matter in the living human brain. The diffusion signal has been modelled as the combined contribution from many individual fascicles of nerve fibers passing through each location in the …
Framework learns structural and functional brain network embeddings while preserving their properties.
Proposes a normalization technique for manifold valued data.