MorganGen: Generative Modeling of SMILES Using Morgan Fingerprint Features
- 2024
- ACS Fall 2024
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9 results for Raúl Fernández Díaz
Analysis of docking for binding affinity prediction
- Raúl Fernández Díaz
- Denis Shields
- et al.
- 2024
- ACS Fall 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- 2024
- ACS Fall 2024
AutoPeptideML: An Automated Machine Learning Method for Building Peptide Bioactivity Predictors Leveraging Protein Language Models
- Raúl Fernández Díaz
- Rodrigo Cossio-pérez
- et al.
- 2023
- ICBG 2023
AutoPeptideML: A study on how to build more trustworthy peptide bioactivity predictors
- Raúl Fernández Díaz
- Rodrigo Cossio-pérez
- et al.
- 2024
- ISMB 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- 2024
- ISMB 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- 2024
- MoML 2024
Enhancing foundation models for scientific discovery via multimodal knowledge graph representations
- 2025
- Journal of Web Semantics
Models that learn the language of molecules and how to use them to predict their properties
- 2024
- SECUAH 2024