IEEE/ACM transactions on computational biology and bioinformatics
Dec 25, 2023
With the growing popularity of artificial intelligence in drug discovery, many deep-learning technologies have been used to automatically predict unknown drug-target interactions (DTIs). A unique challenge in using these technologies to predict DTI i...
We present a system for anomaly detection in histopathological images. In histology, normal samples are usually abundant, whereas anomalous (pathological) cases are scarce or not available. Under such settings, one-class classifiers trained on health...
Drug-drug interactions (DDIs) for emerging drugs offer possibilities for treating and alleviating diseases, and accurately predicting these with computational methods can improve patient care and contribute to efficient drug development. However, man...
Journal of chemical information and modeling
Nov 22, 2023
Molecular generation is crucial for advancing drug discovery, materials science, and chemical exploration. It expedites the search for new drug candidates, facilitates tailored material creation, and enhances our understanding of molecular diversity....
MOTIVATION: Drug repurposing (DR) is an imminent approach for identifying novel therapeutic indications for the available drugs and discovering novel drugs for previously untreatable diseases. Nowadays, DR has major attention in the pharmaceutical in...
Alzheimer's & dementia : the journal of the Alzheimer's Association
Oct 14, 2023
INTRODUCTION: A wide range of modifiable risk factors for dementia have been identified. Considerable debate remains about these risk factors, possible interactions between them or with genetic risk, and causality, and how they can help in clinical t...
Utilizing artificial intelligence (AI) in drug design represents an advanced approach for identifying targets and developing new drugs. Integrating AI techniques significantly reduces the workload involved in drug development and enhances the efficie...
Existing drugs often suffer in their effectiveness due to detrimental side effects, low binding affinity or pharmacokinetic problems. This may be overcome by the development of distinct compounds. Here, we exploit the rich structural basis of drug-bo...
By harnessing artificial intelligence (AI) algorithms and machine learning techniques, the entire drug discovery process stands to undergo a profound transformation, offering a myriad of advantages. Foremost among these is the ability of AI to conduc...