Thomas O. Metz | DeepAI

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Featured Co-authors

Ryan S. Renslow
3 publications
Sean M. Colby
2 publications
Yasemin Yesiltepe
2 publications
Felicity F. Nielson
1 publication

research

∙ 11/05/2021

SPECTRe: Substructure Processing, Enumeration, and Comparison Tool Resource: An efficient tool to encode all substructures of molecules represented in SMILES

Functional groups and moieties are chemical descriptors of biomolecules ...

0 Yasemin Yesiltepe, et al. ∙

research

∙ 05/06/2021

Similarity Downselection: A Python implementation of a heuristic search algorithm for finding the set of the n most dissimilar items with an application in conformer sampling

Finding the set of the n items most dissimilar from each other out of a ...

0 Felicity F. Nielson, et al. ∙