An automated framework for NMR chemical shift calculations of small organic molecules. - Yasemin Yesiltepe; Jamie R. Nuñez; Sean M. Colby; Dennis G. Thomas; Mark I. Borkum; Patrick Reardon; Nancy M. Washton; Thomas O. Metz; Justin G. Teeguarden; Niranjan Govind; Ryan S. Renslow (J. Cheminformatics, 2018)

Application and Assessment of Deep Learning for the Generation of Potential NMDA Receptor Antagonists. - Katherine J. Schultz; Sean M. Colby; Yasemin Yesiltepe; Jamie R. Nuñez; Monee Y. McGrady; Ryan S. Renslow (CoRR, 2020)

Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets. - Jamie R. Nuñez; Monee Y. McGrady; Yasemin Yesiltepe; Ryan S. Renslow; Thomas O. Metz (J. Chem. Inf. Model., 2020)

SPECTRe: Substructure Processing, Enumeration, and Comparison Tool Resource: An efficient tool to encode all substructures of molecules represented in SMILES. - Yasemin Yesiltepe; Ryan S. Renslow; Thomas O. Metz (CoRR, 2021)

Correction to "Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets". - Jamie R. Nuñez; Monee Y. McGrady; Yasemin Yesiltepe; Ryan S. Renslow; Thomas O. Metz (J. Chem. Inf. Model., 2021)

An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts. - Yasemin Yesiltepe; Niranjan Govind; Thomas O. Metz; Ryan S. Renslow (J. Cheminformatics, 2022)