Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search. - Kathryn E. Kirchoff; James Wellnitz; Joshua E. Hochuli; Travis Maxfield; Konstantin I. Popov; Shawn M. Gomez; Alexander Tropsha (ECIR (2), 2024)

EMOE: Expansive Matching of Experts for Robust Uncertainty Based Rejection. - Yunni Qu; James Wellnitz; Alexander Tropsha; Junier Oliva (CoRR, 2024)

STOPLIGHT: A Hit Scoring Calculator. - James Wellnitz; Holli-Joi Martin; Mohammad Anwar Hossain 002; Marielle Rath; Colton Fox; Konstantin I. Popov; Timothy M. Willson; Eugene N. Muratov; Alexander Tropsha (J. Chem. Inf. Model., 2024)

One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening. - James Wellnitz; Sankalp Jain; Joshua E. Hochuli; Travis Maxfield; Eugene N. Muratov; Alexander Tropsha; Alexey V. Zakharov (J. Cheminformatics, 2025)