Perturbation Theory-Machine Learning Study of Zeolite Materials Desilication. - Vincent Blay; Toshiyuki Yokoi; Humberto González Díaz (J. Chem. Inf. Model., 2018)

MACAW: An Accessible Tool for Molecular Embedding and Inverse Molecular Design. - Vincent Blay; Tijana Radivojevic; Jonathan E. Allen; Corey M. Hudson; Héctor García Martín (J. Chem. Inf. Model., 2022)

From intuition to AI: evolution of small molecule representations in drug discovery. - Miles McGibbon; Steven R. Shave; Jie Dong; Yumiao Gao; Douglas R. Houston; Jiancong Xie; Yuedong Yang; Philippe Schwaller; Vincent Blay (Briefings Bioinform., 2023)

AutoDock-SS: AutoDock for Multiconformational Ligand-Based Virtual Screening. - Boyang Ni; Haoying Wang; Huda Kadhim Salem Khalaf; Vincent Blay; Douglas R. Houston (J. Chem. Inf. Model., 2024)

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13. - Oleksandra Herasymenko; Madhushika Silva; Abd Al-Aziz A. Abu-Saleh; Ayaz Ahmad; Jesus Alvarado-Huayhuaz; Oscar Emilio Arrúa Arce; Roly J. Armstrong; Cheryl H. Arrowsmith; Kelly E. Bachta; Hartmut Beck; Dénes Berta; Mateusz K. Bieniek; et al. (J. Chem. Inf. Model., 2025)