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…
cs.LG2023
SALSA: Semantically-Aware Latent Space Autoencoder
Kathryn E. Kirchoff, Travis Maxfield, Alexander Tropsha +1
In deep learning for drug discovery, chemical data are often represented as simplified molecular-input line-entry system (SMILES) sequences which allow for straightforward implemen…