Analysis of docking for binding affinity prediction
- Raúl Fernández Díaz
- Denis Shields
- et al.
- 2024
- ACS Fall 2024
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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7 results for Denis Shields
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
AutoPeptideML: A study on how to build more trustworthy peptide bioactivity predictors
- Raúl Fernández Díaz
- Rodrigo Cossio-pérez
- et al.
- 2024
- Bioinformatics