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Nikolai Schapin — most-cited papers & profile · AI for Science
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Nikolai Schapin
3
papers ·
31
citations
Google Scholar ↗
Semantic Scholar ↗
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Most-cited papers
Machine Learning Small Molecule Properties in Drug Discovery
2023 · 30 citations
On Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction
2024 · 1 citations
PlayMolecule pKAce: Small Molecule Protonation through Equivariant Neural Networks
2024
Top co-authors
Gianni De Fabritiis
· 3
Maciej Majewski
· 2
Albert Bou
· 1
Alejandro Varela
· 1
Carles Navarro
· 1
Carlos Arroniz
· 1
Mariona Torrens-Fontanals
· 1
Topics
Drug Discovery
Chemistry
Physics ML
Protein Science