Carles Bo

Publication Activity (10 Years)

Years Active: 2007-2024
Publications (10 Years): 4

Top Topics

Computational Chemistry

Ontology Development

Computationally Expensive

Top Venues

J. Comput. Chem.

J. Cheminformatics

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Enric Petrus, Jordi Buils, Diego Garay-Ruiz, Mireia Segado-Centellas, Carles Bo
POMSimulator: An open-source tool for predicting the aqueous speciation and self-assembly mechanisms of polyoxometalates. J. Comput. Chem. 45 (26, October) (2024)
Diego Garay-Ruiz, Carles Bo
Chemical reaction network knowledge graphs: the OntoRXN ontology. J. Cheminformatics 14 (1) (2022)
Dylan Serillon, Carles Bo, Xavier Barril
Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challenge. J. Comput. Aided Mol. Des. 35 (2) (2021)
Enric Petrus, Carles Bo
Performance of group additivity methods for predicting the stability of uranyl complexes. J. Comput. Chem. 41 (11) (2020)
M. Álvarez-Moreno, Coen de Graaf, N. López, Feliu Maseras, Josep M. Poblet, Carles Bo
Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform. J. Chem. Inf. Model. 55 (1) (2015)
Manuel Urbano-Cuadrado, Jorge J. Carbó, Ana G. Maldonado, Carles Bo
New Quantum Mechanics-Based Three-Dimensional Molecular Descriptors for Use in QSSR Approaches: Application to Asymmetric Catalysis. J. Chem. Inf. Model. 47 (6) (2007)