Natalia Kireeva
Frumkin Institute of Physical Chemistry and Electrochemistry(RU)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Machine Learning in Materials Science, Advancements in Battery Materials, Advanced Battery Materials and Technologies, Ionic liquids properties and applications
Most-Cited Works
- → Exhaustive QSPR Studies of a Large Diverse Set of Ionic Liquids: How Accurately Can We Predict Melting Points?(2007)138 cited
- → Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure‐Activity Modeling and Dataset Comparison(2012)133 cited
- → The One‐Class Classification Approach to Data Description and to Models Applicability Domain(2010)56 cited
- → Materials space of solid-state electrolytes: unraveling chemical composition–structure–ionic conductivity relationships in garnet-type metal oxides using cheminformatics virtual screening approaches(2017)55 cited
- → Materials Informatics Screening of Li‐Rich Layered Oxide Cathode Materials with Enhanced Characteristics Using Synthesis Data(2020)26 cited
- → The complexation of metal ions with various organic ligands in water: prediction of stability constants by QSPR ensemble modelling(2015)23 cited
- → QSPR ensemble modelling of alkaline-earth metal complexation(2012)23 cited
- → Using self-organizing maps to accelerate similarity search(2012)20 cited
- → Toward Navigating Chemical Space of Ionic Liquids: Prediction of Melting Points Using Generative Topographic Maps(2012)20 cited
- → Structure-property modelling of complex formation of strontium with organic ligands in water(2006)19 cited