Gerardo M. Casañola-Martín

According to our database, Gerardo M. Casañola-Martín authored at least 3 papers between 2007 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

MixtureMetrics: A comprehensive package to develop additive numerical features to describe complex materials for machine learning modeling.

Rahil Ashtari Mahini, Gerardo M. Casañola-Martín, Simone A. Ludwig, Bakhtiyor F. Rasulev

SoftwareX, 2024

2012

Retrained Classification of Tyrosinase Inhibitors and "In Silico" Potency Estimation by Using Atom-Type Linear Indices: A Powerful Tool for Speed up the Discovery of Leads.

Gerardo M. Casañola-Martín, Mahmud Tareq Hassan Khan, Huong Le-Thi-Thu, Yovani Marrero-Ponce, Ramón García-Domenech, Francisco Torrens, Antonio Rescigno

Int. J. Chemoinformatics Chem. Eng., 2012

2007

Bond-based 2D <i>TOMOCOMD-CARDD</i> approach for drug discovery: aiding decision-making in 'in silico' selection of new lead tyrosinase inhibitors.

Yovani Marrero-Ponce, Mahmud Tareq Hassan Khan, Gerardo M. Casañola-Martín, Arjumand Ather, Mukhlis N. Sultankhodzhaev, Ramón García-Domenech, Francisco Torrens, Richard Rotondo

J. Comput. Aided Mol. Des., 2007