Sargol Mazraedoost

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Cross-column density functional theory–based quantitative structure-retention relationship model development powered by machine learning

✅ Quantitative structure-retention relationship (QSRR) modeling is an efficient alternative to predict analyte retention times using molecular descriptors. ✅ This study evaluates the potential of...

01 January 1970 5,838 0 View

Journal Recommendations in the fields of Protein Engineering, Molecular Modeling and Simulation, Structural Bioinformatics, and Computational Biophysi

Dear All, I am reaching out to seek your valuable suggestions for reputable SCI(E) journals in the fields of Protein Engineering, Molecular Modeling and Simulation, Structural Bioinformatics, and...

01 January 1970 2,371 2 View

Cross-column density functional theory–based quantitative structure-retention relationship model development powered by machine learning

Quantitative structure-retention relationship (QSRR) modeling is an efficient alternative to predict analyte retention times using molecular descriptors. This study evaluates the potential of...

01 January 1970 6,524 1 View

Prediction of Chromatographic Retention Time of a Small Molecule from SMILES Representation Using a Hybrid Transformer-LSTM Model

Accurate retention time (RT) prediction in liquid chromatography remains a significant consideration in molecular analysis. In this study, we explore the use of a transformer-based language model...

01 January 1970 2,940 1 View

Journal Recommendations in the fields of Protein Engineering, Molecular Modeling and Simulation, and Structural Bioinformatics

Dear All, I am reaching out to seek your valuable suggestions for reputable SCI(E) journals in the fields of Protein Engineering, Molecular Modeling and Simulation, Structural Bioinformatics, and...

01 January 1970 2,152 2 View