Elisabet Gregori-Puigjané

Publication Activity (10 Years)

Years Active: 2006-2023
Publications (10 Years): 2

Top Topics

Computational Framework

Top Venues

J. Chem. Inf. Model.

Comput. Methods Programs Biomed.

Publications

Carlos Borau, Kenneth Y. Wertheim, Silvia Hervas-Raluy, Diego Sainz-DeMena, Dawn Walker, Robert Chisholm, Paul Richmond, V. Varella, Marco Viceconti, A. Montero, Elisabet Gregori-Puigjané, Jordi Mestres, Marek Kasztelnik, José Manuel García Aznar
A multiscale orchestrated computational framework to reveal emergent phenomena in neuroblastoma. Comput. Methods Programs Biomed. 241 (2023)
Kazi Yasin Helal, Mateusz Maciejewski, Elisabet Gregori-Puigjané, Meir Glick, Anne Mai Wassermann
Public Domain HTS Fingerprints: Design and Evaluation of Compound Bioactivity Profiles from PubChem's Bioassay Repository. J. Chem. Inf. Model. 56 (2) (2016)
Elisabet Gregori-Puigjané, Rut Garriga-Sust, Jordi Mestres
Response to the comment by Wolf Ihlenfeldt on the paper "Indexing molecules with chemical graph identifiers". J. Comput. Chem. 33 (2) (2012)
Elisabet Gregori-Puigjané, Rut Garriga-Sust, Jordi Mestres
Indexing molecules with chemical graph identifiers. J. Comput. Chem. 32 (12) (2011)
Jordi Mestres, Lidia Martín-Couce, Elisabet Gregori-Puigjané, Montserrat Cases, Scott Boyer
Ligand-Based Approach to In Silico Pharmacology: Nuclear Receptor Profiling. J. Chem. Inf. Model. 46 (6) (2006)
Elisabet Gregori-Puigjané, Jordi Mestres
SHED: Shannon Entropy Descriptors from Topological Feature Distributions. J. Chem. Inf. Model. 46 (4) (2006)