Aurora B, a subtype of Aurora kinases that functions as a serine/threonine kinase, playing a vital role in the process of mitosis, is often overexpressed in certain tumor cells leading to tumorigenesis and progression. Therefore, the development of s...
Porcine reproductive and respiratory syndrome (PRRS) modified live virus (MLV) vaccines likely confer partial protection against heterologous wild type challenge through broadly reactive T cells. Therefore, the efficacy of Ingelvac PRRS® MLV alone an...
The availability of large genome datasets has changed the microbiology research landscape. Analyzing such data requires computationally demanding analyses, and new approaches have come from different data analysis philosophies. Machine learning and s...
Experimental screening for biopharmaceutical developability properties typically relies on resource-intensive, and time-consuming assays such as size exclusion chromatography (SEC). This study highlights the potential of in silico models to accelerat...
Journal of the American Society for Mass Spectrometry
Sep 26, 2025
The discovery of novel bioactive compounds remains a cornerstone of natural product (NP) chemistry. However, traditional NP discovery workflows are time- and resource-intensive, hindering sustainability and efficiency of multicondition screening proj...
Biologics, including emerging engineered formats, can often exhibit poor developability profiles, complicating their translation into successful therapeutics. While formulation design can substantially mitigate some developability issues, it represen...
Journal of chemical information and modeling
Sep 26, 2025
Retrosynthesis prediction remains a central challenge in computational chemistry, particularly when models must generalize to rare or structurally complex reactions. We present a curriculum learning (CL) framework that reshapes model training by syst...
Journal of chemical information and modeling
Sep 26, 2025
Advances in machine learning (ML) have revolutionized the exploration of chemical space, enabling the creation of subsets tailored for specific applications. Herein, we describe the development of Chemspace Freedom Space 3.0, a chemical library of sy...
BACKGROUND: This study aimed to create machine learning (ML) models to predict the long-term uncorrected distance visual acuity (UDVA) in myopic eyes corrected by small incision lenticule extraction (SMILE).
Journal of computer-aided molecular design
Sep 26, 2025
Kinase profiling is an essential step in both hit identification and selectivity evaluation. Since in vitro testing of large chemical libraries is costly and time-consuming, a computational approach can be applied to narrow down the reasonable chemic...
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