Javier E. Alfonso Ramos
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  • Publications
    • Abiotic ribonucleoside formation in aqueous microdroplets: mechanistic exploration, acidity, and electric field effects
    • Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
    • Improving the reliability of, and confidence in, DFT functional benchmarking through active learning
    • Repurposing quantum chemical descriptor datasets for on-the-fly generation of informative reaction representations: application to hydrogen atom transfer reactions
    • Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and Discovery
    • Origins of the Reactivity in 1,3‐Dipolar Cycloadditions of Acyl Isocyanide Ylides
    • Merging dual photoredox/cobalt catalysis and boronic acid (derivatives) activation for the Minisci reaction
    • Identification of novel thiadiazin derivatives as potentially selective inhibitors towards trypanothione reductase from Trypanosoma cruzi by molecular docking using the numerical index poses ratio Pr and the binding mode analysis
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    • Pandas
    • PyTorch
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Pandas

Oct 26, 2023 · 1 min read
Go to Project Site

Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures.

Last updated on Oct 26, 2023
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Javier E. Alfonso-Ramos
Authors
Javier E. Alfonso-Ramos
PhD Student
PyTorch Oct 26, 2023 →

© 2025 Javier E. Alfonso-Ramos. This work is licensed under CC BY NC ND 4.0

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