Optimizing Drug Design by Merging Generative AI With Active Learning Frameworks. - Isaac Filella-Merce; Alexis Molina; Marek Orzechowski; Lucía Díaz; Yang Ming Zhu; Julia Vilalta Mor; Laura Malo; Ajay S. Yekkirala; Soumya S. Ray; Victor Guallar (CoRR, 2023)

Active Learning-Guided Seq2Seq Variational Autoencoder for Multi-target Inhibitor Generation. - Julia Vilalta Mor; Alexis Molina; Laura Ortega Varga; Isaac Filella-Merce; Victor Guallar (CoRR, 2025)