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Nikolai Schapin
ORCID
Publication Activity (10 Years)
Years Active: 2022-2024
Publications (10 Years): 4
Top Topics
Subcellular Localization
Drug Discovery
Machine Learning
Protein Protein
Top Venues
CoRR
J. Chem. Inf. Model.
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Publications
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Nikolai Schapin
,
Maciej Majewski
,
Mariona Torrens-Fontanals
,
Gianni De Fabritiis
PlayMolecule pKAce: Small Molecule Protonation through Equivariant Neural Networks.
CoRR
(2024)
Nikolai Schapin
,
Carles Navarro
,
Albert Bou
,
Gianni De Fabritiis
On Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction.
CoRR
(2024)
Nikolai Schapin
,
Maciej Majewski
,
Alejandro Varela-Rial
,
Carlos Arroniz
,
Gianni De Fabritiis
Machine Learning Small Molecule Properties in Drug Discovery.
CoRR
(2023)
Alejandro Varela-Rial
,
Iain Maryanow
,
Maciej Majewski
,
Stefan Doerr
,
Nikolai Schapin
,
José Jiménez-Luna
,
Gianni De Fabritiis
PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks.
J. Chem. Inf. Model.
62 (2) (2022)