FOG: Fragment Optimized Growth Algorithm for the de Novo Generation of Molecules Occupying Druglike Chemical Space. - Peter S. Kutchukian; David Lou; Eugene I. Shakhnovich (J. Chem. Inf. Model., 2009)

Representing high throughput expression profiles via perturbation barcodes reveals compound targets. - Tracey M. Filzen; Peter S. Kutchukian; Jeffrey D. Hermes; Jing Li; Matthew Tudor (PLoS Comput. Biol., 2017)

Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discovery. - Lingling Shen; Jian Fang; Lulu Liu; Fei Yang; Jeremy L. Jenkins; Peter S. Kutchukian; He Wang (J. Cheminformatics, 2024)