2022
-
Afonina V.A, Mazitov D.A, Nurmukhametova A, Prediction of optimal conditions of hydrogenation reaction using the likelihood ranking approach//International Journal of Molecular Sciences. - 2022. - Vol.23, Is.1. - Art. №248.
-
Lin A, Dyubankova N, Madzhidov T.I, Atom-to-atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies//Molecular Informatics. - 2022. - Vol. 41, Is.4. - Art.No2100138.
2021
-
Madzhidov T.I, Rakhimbekova A, Afonina V.A, Machine learning modelling of chemical reaction characteristics: yesterday, today, tomorrow//Mendeleev Communications. - 2021. - Vol.31, Is.6. - P.769-780.
-
Gimadiev Timur R., Lin Arkadii, Afonina Valentina A., Reaction Data Curation I: Chemical Structures and Transformations Standardization/Molecular Informatics. - 2021. - Vol.40, Is.12. - Art. №2100119.
2020
2019
- Afonina, V.A. Extended Interactive Greene's Reactivity Charts / V.A. Afonina, S.I. Musaeva, R.I. Nugmanov, T.I. Madzhidov, A. Varnek // XI International Conference on Chemistry for Young Scientists “Mendeleev 2019”: Book of abstracts. – Saint Petersburg, 2019. – P. 382.
-
Nugmanov R.I, Mukhametgaleev R.N, Akhmetshin T, CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing//Journal of Chemical Information and Modeling. - 2019. - Vol. 59, Is. 6. - 2516-2521.
2018
- Afonina, V.A. Reaction conditions prediction by artificial neural networks / V.A. Afonina, A. Delova, R.I. Nugmanov, T.I. Madzhidov, O. Klimchuk, A. Varnek // Third International School-Seminar «From Empirical to Predictive Chemistry« (Kazan, 5-7 April 2018): book of abstracts. - Kazan: Kazan Federal University, 2018. - P. 31.
-
Fatykhova A. Automated system for searching reactions, reaction centers and analysis of protective groups using CGR-DB cartridge / A. Fatykhova, R. Nugmanov, R. Mukhametgaleev, S. Musaeva, V. Afonina, T. Madzhidov, A. Varnek //In search of models for personalized medicine. Abstracts volume of V International conference “POSTGENOME'2018” (October 29 - November 2, 2018) - Kazan: KFU publishing office. 2018. - P. 319. (poster presentation)
abstract.pdf -
Lin A, Horvath D, Afonina V, Mapping of the Available Chemical Space versus the Chemical Universe of Lead-Like Compounds//ChemMedChem. - 2018. - Vol. 13, Is. 6. - P. 540-554.
2017
2016
| Work address: | , |
| Office number: | 512 |
| E-mail: | ValAAfonina@kpfu.ru |
| VK: | http://vk.com/valiaafo |
| Google scholar: | https://scholar.google.ru/citations?user=5ReGiJcAAAAJ&hl=ru |
| Experience: |
| Scientific and pedagogical experience: |
| General experience: |
| Experience in KFU: |
