SAR Modeling: Effect of Experimental Ambiguity

“Antibodies & Protein Design” section focuses on the utilization of multiple strategies to engineer and optimize antibodies and proteins that serve diverse analytical strategies, such as combinatorial protein design, structure-based design, sequence-based design, and other techniques that incorporate principles of protein-protein interactions, allosteric regulation, and post-translational modifications. Example applications include ...read more

Recently, a large number of technologies based on artificial intelligence have been developed and applied to solve a diverse range of problems in the areas of biomedical, biochemical and bioinformatics problems. By utilizing powerful computing resources and massive amounts of data, methods based on artificial intelligence can significantly improve the ...read more

Combinatorial chemistry involves the synthesis and analysis of a large number of diverse compounds simultaneously. Traditional methods rely on brute-force experimentation, which can be time-consuming and resource-intensive. Spectral graph theory, a branch of mathematics dealing with the properties of graphs in relation to the eigenvalues and eigenvectors of matrices associated ...read more

Chemical graph theory has become increasingly critical in molecular sciences, offering advanced capabilities in the modeling, design, and analysis of chemical structures via molecular graphs. This special issue aims to not only explore these fundamental aspects but also to push the boundaries of CCHTS applications. By integrating the concept of ...read more