Valentina A. Afonina
Kazan Federal University(RU)
Publications by Year
Research Areas
Machine Learning in Materials Science, Computational Drug Discovery Methods, Chemical Synthesis and Analysis, Innovative Microfluidic and Catalytic Techniques Innovation, Protein Structure and Dynamics
Most-Cited Works
- → CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing(2019)94 cited
- → Atom‐to‐atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies(2021)70 cited
- → Mapping of the Available Chemical Space versus the Chemical Universe of Lead‐Like Compounds(2017)45 cited
- → Reaction Data Curation I: Chemical Structures and Transformations Standardization(2021)43 cited
- → Prediction of Optimal Conditions of Hydrogenation Reaction Using the Likelihood Ranking Approach(2021)14 cited
- → Machine learning modelling of chemical reaction characteristics: yesterday, today, tomorrow(2021)14 cited
- An approach for creating atom-to-atomic mapping using a naive Bayesian classifier(2018)
- → Conditional Variational AutoEncoder to Predict Suitable Conditions for Hydrogenation Reactions(2025)
- → CHEMOINFORMATICS MEETS SYNTHETIC MEDICINAL CHEMISTRY(2021)