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. Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search. In ECIR (2). pages 34-49, 2024. [doi]

Abstract

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