James Wellnitz

1. Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search
   2024/02/12 by Kathryn E. Kirchoff, James Wellnitz, Kirchoff, Kathryn E. +11 · 1 citation
   Chemistry · Computer Science · #Analytical Chemistry and Chromatography #Computational Drug Discovery Methods #FOS: Computer and information sciences #Information Retrieval (cs.IR) #Machine Learning (cs.LG) #Various Chemistry Research Topics
2. Look mom, no experimental data! Learning to score protein-ligand interactions from simulations
   2025/05/31 by Michael Brocidiacono, Brocidiacono, Michael, James Wellnitz +5 · 1 citation
   Biochemistry, Genetics and Molecular Biology · Computer Science · #Bioinformatics and Genomic Networks #Biomedical Text Mining and Ontologies #Computational Drug Discovery Methods #FOS: Biological sciences #Quantitative Methods (q-bio.QM)