Implementation of an algorithm based on the Runge-Kutta-Fehlberg technique and the potential energy as a reaction coordinate to locate intrinsic reaction paths. - Antoni Aguilar-Mogas; Xavier Giménez; Josep Maria Bofill (J. Comput. Chem., 2010)

CliqueMS: a computational tool for annotating in-source metabolite ions from LC-MS untargeted metabolomics data based on a coelution similarity network. - Oriol Senan; Antoni Aguilar-Mogas; Miriam Navarro; Jordi Capellades; Luke Noon; Deborah Burks; Oscar Yanes; Roger Guimerà; Marta Sales-Pardo (Bioinform., 2019)

A Bayesian machine scientist to aid in the solution of challenging scientific problems. - Roger Guimerà; Ignasi Reichardt; Antoni Aguilar-Mogas; Francesco Alessandro Massucci; Manuel Miranda; Jordi Pallarés; Marta Sales-Pardo (CoRR, 2020)