1 citations · 1 across the 2 of their papers we have counts for
2 papers
cs.IR2024★ 1 cited
Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search
Kathryn E. Kirchoff, James Wellnitz, Joshua E. Hochuli +4
Nearest neighbor-based similarity searching is a common task in chemistry, with notable use cases in drug discovery. Yet, some of the most commonly used approaches for this task st…
stat.ME2023
The N-ary in the Coal Mine: Avoiding Mixture Model Failure with Proper Validation
Travis Maxfield, Joshua Hochuli, James Wellnitz +4
Modeling the properties of chemical mixtures is a difficult but important part of any modeling process intended to be applicable to the often messy and impure phenomena of everyday…