SABANDO, MARÍA VIRGINIA; PONZONI, IGNACIO; MILIOS, EVANGELOS E; SOTO, AXEL J

Using molecular embeddings in QSAR modeling: Does it make a difference?

BRIEFINGS IN BIOINFORMATICS; Año: 2022 vol. 23

MARTÍNEZ, MARÍA JIMENA; SABANDO, MARÍA VIRGINIA; SOTO, AXEL J.; ROCA, CARLOS; REQUENA-TRIGUERO, CARLOS; CAMPILLO, NURIA E.; PÁEZ, JUAN A.; PONZONI, IGNACIO

Multitask Deep Neural Networks for Ames Mutagenicity Prediction

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2022 vol. 62 p. 6342 - 6351

SABANDO, MARIA VIRGINIA; ULBRICH, PAVOL; SELZER, MATIAS; BYSKA, JAN; MICAN, JAN; PONZONI, IGNACIO; SOTO, AXEL J.; GANUZA, MARIA LUJAN; KOZLIKOVA, BARBORA

ChemVA: Interactive visual analysis of chemical compound similarity in virtual screening

IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS; Año: 2021 vol. 27 p. 891 - 901

SABANDO, MARÍA VIRGINIA; PONZONI, IGNACIO; SOTO, AXEL J.

Neural-based approaches to overcome feature selection and applicability domain in drug-related property prediction

APPLIED SOFT COMPUTING; Año: 2019 vol. 85