arXiv:2605. 15511v2 Announce Type: replace Abstract: Graph Neural Networks (GNNs) have become the dominant framework for inductive graph-level learning.
By Louisa Cornelis, Johan Mathe, Louis Van Langendonck, Guillermo Bern\'ardez, Nina Miolane
arXiv:2607. 06224v1 Announce Type: new Abstract: Designing microbial strains that produce high-value chemicals at commercially viable titers remains a central challenge in metabolic engineering.
By Jake Bowden, Laurence Legon, Satnam Surae
arXiv:2609.37555v1 Announce Type: new
Abstract: Drug discovery is a costly and high-risk process, where toxicity-related failures remain a major cause of attrition in both preclinical and clinical st...
By Noel Suarez-Barro, Manuel Lama, Juan C. Vidal
arXiv:2606. 11562v1 Announce Type: new Abstract: Graph analysis underlies many applications whose answers cannot be looked up in a single record or retrieved along a path: laundering rings, drug repurposing, user preference, and scientific theme are all inferred from a node together with its neighbourhood.
By Zhuoyi Peng, Jingzhou Jiang, Hanlin Gu, Lixin Fan, Yi Yang
arXiv:2608.30636v1 Announce Type: new
Abstract: Optimizing absorption, distribution, metabolism, and excretion (ADME) is an important part of small molecule drug discovery. Many machine learning mode...
By Christina X. Ji
arXiv:2606. 10249v1 Announce Type: new Abstract: We examine whether graph neural network (GNN) design rules generalize across benchmark families by studying aggregator selection (sum, mean, max) on 24 node-classification datasets spanning citation, heterophilic, LINKX Facebook-100, co-purchase, and co-authorship graphs.
By Neha Sharma, Ritesh Sharma