Despite advances in molecular biology, genetics, computation, and medicinal chemistry,
infectious disease remains an ominous threat to public health. Addressing the challenges …

Drug-discovery and drug-development endeavors are laborious, costly and time consuming.
These programs can take upward of 12 years and cost US $2.5 billion, with a failure rate of …

Acinetobacter baumannii is a nosocomial Gram-negative pathogen that often displays
multidrug resistance. Discovering new antibiotics against A. baumannii has proven …

Janus kinase (JAK) is a family of cytoplasmic non-receptor tyrosine kinases that includes
four members, namely JAK1, JAK2, JAK3, and TYK2. The JAKs transduce cytokine signaling …

High-throughput next-generation sequencing now makes it possible to generate a vast
amount of multi-omics data for various applications. These data have revolutionized …

Motivation Screening bioactive compounds in cancer cell lines receive more attention.
Multidisciplinary drugs or drug combinations have a more effective role in treatments and …

Graph neural networks (GNNs) have emerged as a series of competent graph learning
methods for diverse real-world scenarios, ranging from daily applications like …

Molecular representation learning has attracted much attention recently. A molecule can be
viewed as a 2D graph with nodes/atoms connected by edges/bonds, and can also be …

The origin of the COVID-19 pandemic has given overture to redirection, as well as
innovation to many digital technologies. Even after the progression of vaccination efforts …

As a way to implement the" right to be forgotten" in machine learning, machine unlearning
aims to completely remove the contributions and information of the samples to be deleted …