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Molecular Informatics
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February 1, 2023
GB-score: Minimally designed machine learning scoring function based on distance-weighted interatomic contact features
Milad Rayka, Rohoullah Firouzi
BMC Bioinformatics
|
April 23, 2026
Reindeer: a protein-ligand feature generator software for machine learning algorithms
Milad Rayka, S Shahab Naghavi
Scientific Reports
|
December 4, 2025
Uncertainty quantification enables reliable deep learning for protein-ligand binding affinity prediction
Milad Rayka, S Shahab Naghavi
Physical Chemistry Chemical Physics : PCCP
|
January 27, 2018
Toward a muon-specific electronic structure theory: effective electronic Hartree-Fock equations for muonic molecules
Milad Rayka, Mohammad Goli, Shant Shahbazian
Physical Chemistry Chemical Physics : PCCP
|
March 16, 2018
Effective electronic-only Kohn-Sham equations for the muonic molecules
Milad Rayka, Mohammad Goli, Shant Shahbazian
Molecular Informatics
|
February 15, 2024
An ensemble-based approach to estimate confidence of predicted protein-ligand binding affinity values
Milad Rayka, Morteza Mirzaei, Ali Mohammad Latifi
Molecular Informatics
|
May 22, 2021
ET-score: Improving Protein-ligand Binding Affinity Prediction Based on Distance-weighted Interatomic Contact Features Using Extremely Randomized Trees Algorithm
Milad Rayka, Mohammad Hossein Karimi-Jafari, Rohoullah Firouzi
Scientific Reports
|
February 11, 2026
Interpretable machine learning rationalizes carbonic anhydrase inhibition via conformal and counterfactual prediction
Masoumeh Shams Ghamsary, Milad Rayka, S Shahab Naghavi
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Molecular Informatics
|
February 1, 2023
GB-score: Minimally designed machine learning scoring function based on distance-weighted interatomic contact features
Milad Rayka, Rohoullah Firouzi
BMC Bioinformatics
|
April 23, 2026
Reindeer: a protein-ligand feature generator software for machine learning algorithms
Milad Rayka, S Shahab Naghavi
Scientific Reports
|
December 4, 2025
Uncertainty quantification enables reliable deep learning for protein-ligand binding affinity prediction
Milad Rayka, S Shahab Naghavi
Physical Chemistry Chemical Physics : PCCP
|
January 27, 2018
Toward a muon-specific electronic structure theory: effective electronic Hartree-Fock equations for muonic molecules
Milad Rayka, Mohammad Goli, Shant Shahbazian
Physical Chemistry Chemical Physics : PCCP
|
March 16, 2018
Effective electronic-only Kohn-Sham equations for the muonic molecules
Milad Rayka, Mohammad Goli, Shant Shahbazian
Molecular Informatics
|
February 15, 2024
An ensemble-based approach to estimate confidence of predicted protein-ligand binding affinity values
Milad Rayka, Morteza Mirzaei, Ali Mohammad Latifi
Molecular Informatics
|
May 22, 2021
ET-score: Improving Protein-ligand Binding Affinity Prediction Based on Distance-weighted Interatomic Contact Features Using Extremely Randomized Trees Algorithm
Milad Rayka, Mohammad Hossein Karimi-Jafari, Rohoullah Firouzi
Scientific Reports
|
February 11, 2026
Interpretable machine learning rationalizes carbonic anhydrase inhibition via conformal and counterfactual prediction
Masoumeh Shams Ghamsary, Milad Rayka, S Shahab Naghavi
Page
of 1