Rocio Mercado
For more information, see the AI for Biomolecular Engineering (AIBE) research group page at .
Showing 6 publications
Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis
Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data
De Novo Drug Design Using Reinforcement Learning with Graph- Based Deep Generative Models
Graph networks for molecular design
Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation
Practical notes on building molecular graph generative models
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Showing 1 research projects
Modeling cellular uptake via the IFITM pathway for data-driven drug design