Positional embeddings and zero-shot learning using BERT for molecular-property prediction by Medard Edmund Mswahili, JunHa Hwang, Jagath C. Rajapakse, Kyuri Jo, Young-Seob Jeong

“…Journal of Cheminformatics…”
Get full text

PretoxTM: a text mining system for extracting treatment-related findings from preclinical toxicology reports by Javier Corvi, Nicolás Díaz-Roussel, José M. Fernández, Francesco Ronzano, Emilio Centeno, Pablo Accuosto, Celine Ibrahim, Shoji Asakura, Frank Bringezu, Mirjam Fröhlicher, Annika Kreuchwig, Yoko Nogami, Jeong Rih, Raul Rodriguez-Esteban, Nicolas Sajot, Joerg Wichard, Heng-Yi Michael Wu, Philip Drew, Thomas Steger-Hartmann, Alfonso Valencia, Laura I. Furlong, Salvador Capella-Gutierrez

“…Journal of Cheminformatics…”
Get full text

Barlow Twins deep neural network for advanced 1D drug–target interaction prediction by Maximilian G. Schuh, Davide Boldini, Annkathrin I. Bohne, Stephan A. Sieber

“…Journal of Cheminformatics…”
Get full text

Improving drug repositioning with negative data labeling using large language models by Milan Picard, Mickael Leclercq, Antoine Bodein, Marie Pier Scott-Boyer, Olivier Perin, Arnaud Droit

“…Journal of Cheminformatics…”
Get full text