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Dmitry Zankov
Dmitry Zankov
Подтвержден адрес электронной почты в домене icredd.hokudai.ac.jp
Название
Процитировано
Процитировано
Год
QSAR modeling based on conformation ensembles using a multi-instance learning approach
DV Zankov, M Matveieva, AV Nikonenko, RI Nugmanov, II Baskin, ...
Journal of Chemical Information and Modeling 61 (10), 4913-4923, 2021
232021
Multi-instance learning approach to predictive modeling of catalysts enantioselectivity
D Zankov, P Polishchuk, T Madzhidov, A Varnek
Synlett 32 (18), 1833-1836, 2021
82021
Conjugated quantitative structure–property relationship models: application to simultaneous prediction of tautomeric equilibrium constants and acidity of molecules
DV Zankov, TI Madzhidov, A Rakhimbekova, TR Gimadiev, RI Nugmanov, ...
Journal of Chemical Information and Modeling 59 (11), 4569-4576, 2019
82019
Multiple conformer descriptors for QSAR modeling
A Nikonenko, D Zankov, I Baskin, T Madzhidov, P Polishchuk
Molecular Informatics 40 (11), 2060030, 2021
72021
Tree Parzen estimator for global geometry optimization: A benchmark and database of experimental gas‐phase structures of organic molecules
N Andreadi, D Zankov, K Karpov, A Mitrofanov
Journal of Computational Chemistry 43 (21), 1434-1441, 2022
42022
Multi-instance learning for structure-activity modeling for molecular properties
DV Zankov, MD Shevelev, AV Nikonenko, PG Polishchuk, ...
Analysis of Images, Social Networks and Texts: 8th International Conference …, 2020
32020
Quantum chemical modeling of superbase-catalyzed reactions of acetophenone and methyl mesityl ketone with acetylene
VB Kobychev, VB Orel, DV Zankov, NM Vitkovskaya, BA Trofimov
Russian Chemical Bulletin 66, 2227-2233, 2017
32017
Multi-instance learning approach to the modeling of enantioselectivity of conformationally flexible organic catalysts
D Zankov, T Madzhidov, P Polishchuk, P Sidorov, A Varnek
Journal of Chemical Information and Modeling 63 (21), 6629-6641, 2023
22023
Chemical complexity challenge: Is multi‐instance machine learning a solution?
D Zankov, T Madzhidov, A Varnek, P Polishchuk
Wiley Interdisciplinary Reviews: Computational Molecular Science 14 (1), e1698, 2024
2024
Conjugated Quantitative Structure‐Property Relationship Models: Prediction of Kinetic Characteristics Linked by the Arrhenius Equation
D Zankov, TI Madzhidov, I Baskin, A Varnek
Molecular Informatics, 2023
2023
Modélisation structure-propriété avec des techniques avancées d'apprentissage automatique
D Zankov
Strasbourg, 2023
2023
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Статьи 1–11