About

Gabe Gomes is a professor at Carnegie Mellon University, involved in the Gomes Group which has been active since 2022. His research focuses on innovation in organic chemistry and chemical biology through the development of machine learning and automated synthesis. The group emphasizes open science, sharing tools and software on GitHub, and explores the future of scientific discovery through insights and reflections on chemistry and machine learning. His work aims to advance autonomous science instruments, democratize reaction kinetics, and connect chemical and protein sequence spaces to predict biocatalytic reactions.

Research topics

• Computer Science
• Organic chemistry
• Chemistry
• Combinatorial chemistry
• Stereochemistry

Selected publications

• On the Need for Autonomous Science Instruments: A Call to Action

  ChemRxiv · 2026-02-02

  articleOpen access
  PublisherDOI

• A Stereoselective Photoinduced Cycloisomerization Inspired by Ophiobolin A

  Organic Letters · 2022 · 10 citations

  • Chemistry
  • Combinatorial chemistry
  • Stereochemistry

  A stereoselective synthetic entry point to the 5-8-5 carbocyclic core of the ophiobolins was developed. This strategy exploits the chiral tertiary alcohol of ophiobolin A to guide assmebly of the 5-8-5 scaffold in a single step via a photoinitiated cycloisomerization. Mechanistic insights into the origin of stereocontrol in this reaction are described, as are efforts to elaborate the resultant fused 5-8-5 ring system to the pharmacophore of ophiobolin A.

  PublisherOA PDFDOI

• A Stereoselective Photoinduced Cycloisomerization Inspired by Ophiobolin A

  2022 · 2 citations

  • Computer Science
  • Chemistry
  • Combinatorial chemistry

  A concise, modular, and stereoselective synthetic entry point to the 5-8-5 carbocyclic core of the ophiobolins is described. This strategy exploits the chiral tertiary alcohol of ophiobolin A to guide assmebly of the 5-8-5 scaffold in a single step via photoinitiated isomerization. Mechanistic insights into the origin of stereocontrol in this reaction are described, as are efforts to elaborate the resultant 5-8-5 polycycle to the pharmacophore of ophiobolin A.

  PublisherOA PDFDOI

• CCDC 2173765: Experimental Crystal Structure Determination

  The Cambridge Structural Database · 2022-08-10

  datasetOpen access

  An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  PublisherDOI

• CCDC 2173766: Experimental Crystal Structure Determination

  The Cambridge Structural Database · 2022-10-06

  datasetOpen access

  An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  PublisherDOI

• CCDC 2173764: Experimental Crystal Structure Determination

  The Cambridge Structural Database · 2022-08-10

  datasetOpen access

  An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  PublisherDOI

Frequent coauthors

• Daniel P. Callen

  Florida State University

  5 shared

• James A. Law

  Florida State University

  5 shared

• James H. Frederich

  Florida State University

  5 shared

• Elena L. Paola

  5 shared

Awards & honors

• Banting Postdoctoral Fellowship
• LASER Fellowship (2014)
• IBM Ph.D. Scholarship (2016-2017)
• FSU's Graduate Student Research and Creativity Award (2018)
• ACS COMP Chemical Computing Group Excellence Award (2018)