Rocio Mercado

5PUBLICATIONS
18CO-AUTHORS
PharmacogenomicsModelling and simulationReinforcement learningComputational logic and formal languagesChemical and thermal processes in energy and combustion
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Publications (5)

|Jun 18, 2026
Computational Identification of Active Drug Metabolites for Human Protein Targets.

|Jul 05, 2023
Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data.

Rocío Mercado, Steven M Kearnes, Connor W Coley

|Oct 11, 2022
De Novo Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models.

Sara Romeo Atance, Juan Viguera Diez, Ola Engkvist

|Jan 12, 2021
Molecular representations in AI-driven drug discovery: a review and practical guide.

Laurianne David, Amol Thakkar, Rocío Mercado

|Aug 16, 2018
Generating carbon schwarzites via zeolite-templating.

Efrem Braun, Yongjin Lee, Seyed Mohamad Moosavi

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Frequent Collaborators

2 joint publications

Ola Engkvist

1 joint publications

Efrem Braun

1 joint publications

Yongjin Lee

1 joint publications

Seyed Mohamad Moosavi