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Journal Articles
- 2024
[j1]James Wellnitz
, Holli-Joi Martin, Mohammad Anwar Hossain, Marielle Rath, Colton Fox, Konstantin I. Popov, Timothy M. Willson, Eugene N. Muratov, Alexander Tropsha:
STOPLIGHT: A Hit Scoring Calculator. J. Chem. Inf. Model. 64(11): 4387-4391 (2024)
Conference and Workshop Papers
- 2024
- [c1]Kathryn E. Kirchoff, James Wellnitz, Joshua E. Hochuli, Travis Maxfield, Konstantin I. Popov, Shawn M. Gomez, Alexander Tropsha:
Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search. ECIR (2) 2024: 34-49
Informal and Other Publications
- 2024
- [i2]Kathryn E. Kirchoff, James Wellnitz, Joshua E. Hochuli, Travis Maxfield, Konstantin I. Popov, Shawn M. Gomez, Alexander Tropsha:
Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search. CoRR abs/2402.07970 (2024) - [i1]Yunni Qu, James Wellnitz, Alexander Tropsha, Junier Oliva:
EMOE: Expansive Matching of Experts for Robust Uncertainty Based Rejection. CoRR abs/2406.01825 (2024)
Coauthor Index
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