Communications biology
Mar 28, 2023
While critical to biological processes, molecular diffusion is difficult to quantify, and spatial mapping of local diffusivity is even more challenging. Here we report a machine-learning-enabled approach, pixels-to-diffusivity (Pix2D), to directly ex...
Journal of molecular modeling
Mar 28, 2023
BACKGROUND: Drug discovery processes, such as new drug development, drug synergy, and drug repurposing, consume significant yearly resources. Computer-aided drug discovery can effectively improve the efficiency of drug discovery. Traditional computer...
The British journal of radiology
Mar 27, 2023
Data drift refers to differences between the data used in training a machine learning (ML) model and that applied to the model in real-world operation. Medical ML systems can be exposed to various forms of data drift, including differences between th...
Neural networks : the official journal of the International Neural Network Society
Mar 27, 2023
Deep neural networks are enjoying unprecedented attention and success in recent years. However, catastrophic forgetting undermines the performance of deep models when the training data are arrived sequentially in an online multi-task learning fashion...
Neural networks : the official journal of the International Neural Network Society
Mar 27, 2023
While the Metaverse is becoming a popular trend and drawing much attention from academia, society, and businesses, processing cores used in its infrastructures need to be improved, particularly in terms of signal processing and pattern recognition. A...
Journal of chemical information and modeling
Mar 27, 2023
The applications of artificial intelligence, machine learning, and deep learning techniques in the field of materials science are becoming increasingly common due to their promising abilities to extract and utilize data-driven information from availa...
GigaScience
Mar 27, 2023
Interpretation of noncoding genomic variants is one of the most important challenges in human genetics. Machine learning methods have emerged recently as a powerful tool to solve this problem. State-of-the-art approaches allow prediction of transcrip...
PLoS computational biology
Mar 27, 2023
Machine learning models have difficulty generalizing to data outside of the distribution they were trained on. In particular, vision models are usually vulnerable to adversarial attacks or common corruptions, to which the human visual system is robus...
Critical reviews in analytical chemistry
Mar 26, 2023
The authenticity and quality of traditional Chinese medicine (TCM) directly impact clinical efficacy and safety. Quality assessment of traditional Chinese medicine (QATCM) is a global concern due to increased demand and shortage of resources. Recentl...
Interdisciplinary sciences, computational life sciences
Mar 26, 2023
Chemogenomics, also known as proteochemometrics, covers various computational methods for predicting interactions between related drugs and targets on large-scale data. Chemogenomics is used in the early stages of drug discovery to predict the off-ta...