SHED: Shannon Entropy Descriptors from Topological Feature Distributions. - Elisabet Gregori-Puigjané; Jordi Mestres (J. Chem. Inf. Model., 2006)

Ligand-Based Approach to In Silico Pharmacology: Nuclear Receptor Profiling. - Jordi Mestres; Lidia Martín-Couce; Elisabet Gregori-Puigjané; Montserrat Cases; Scott Boyer (J. Chem. Inf. Model., 2006)

Indexing molecules with chemical graph identifiers. - Elisabet Gregori-Puigjané; Rut Garriga-Sust; Jordi Mestres (J. Comput. Chem., 2011)

Response to the comment by Wolf Ihlenfeldt on the paper "Indexing molecules with chemical graph identifiers". - Elisabet Gregori-Puigjané; Rut Garriga-Sust; Jordi Mestres (J. Comput. Chem., 2012)

Public Domain HTS Fingerprints: Design and Evaluation of Compound Bioactivity Profiles from PubChem's Bioassay Repository. - Kazi Yasin Helal; Mateusz Maciejewski; Elisabet Gregori-Puigjané; Meir Glick; Anne Mai Wassermann (J. Chem. Inf. Model., 2016)

A multiscale orchestrated computational framework to reveal emergent phenomena in neuroblastoma. - Carlos Borau; Kenneth Y. Wertheim; Silvia Hervas-Raluy; Diego Sainz-DeMena; Dawn C. Walker; Robert Chisholm; Paul Richmond; V. Varella; Marco Viceconti; A. Montero; Elisabet Gregori-Puigjané; Jordi Mestres; et al. (Comput. Methods Programs Biomed., 2023)