Timur Madzhidov

Skyworks Solutions (United Kingdom) — United Kingdom

Computer Science · Physical Sciences

21h-index2.0kcitations125works0.62yr avg
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Research Topics

Computational Drug Discovery Methods(62), Machine Learning in Materials Science(48), Crystallization and Solubility Studies(15), X-ray Diffraction in Crystallography(13), Chemical Synthesis and Analysis(12)

Publications125 total

Conditional Variational AutoEncoder to Predict Suitable Conditions for Hydrogenation Reactions
Molecules·2025Open Access
Efficient design of peptide-binding polymers using active learning approaches
UNC Libraries·2025Open Access
Leveraging Condensed Graphs of Multi-step Reaction Routes for Clustering Retrosynthetic Pathways
2025Open Access
Leveraging Condensed Graphs of Multi-step Reaction Routes for Clustering Retrosynthetic Pathways
2025Open Access
SynPlanner: An End-to-End Tool for Synthesis Planning
Journal of Chemical Information and Modeling·2024· 3 cited
SynPlanner: an end-to-end tool for synthesis planning
2024Open Access
Active learning approaches in molecule pKi prediction
Molecular Informatics·2024Open Access
SynPlanner: an end-to-end tool for synthesis planning
2024· 2 citedOpen Access
Chemical complexity challenge: Is multi‐instance machine learning a solution?
Wiley Interdisciplinary Reviews Computational Molecular Science·2023· 15 citedOpen Access
Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts
Journal of Chemical Information and Modeling·2023· 5 cited
#675 A new score based on human epididymis protein 4 discriminates benign from malignant adnexal mass much better than risk of ovarian malignancy algorithm
2023Open Access
Conjugated quantitative structure‐property relationship models: Prediction of kinetic characteristics linked by the Arrhenius equation
Molecular Informatics·2023· 2 citedOpen Access
Construction of order-independent molecular fragments space with vector quantised graph autoencoder
2023Open Access
Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts
2023Open Access
Efficient design of peptide-binding polymers using active learning approaches
Journal of Controlled Release·2022· 14 cited
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder
Journal of Chemical Information and Modeling·2022· 10 citedOpen Access
Analysis of the Mechanism of Polybutadiene Synthesis in the Presence of the Neodymium Versatate + Diisobutylaluminum Hydride + Ethylaluminum Sesquichloride Catalytic System within the Solution of the Inverse Kinetic Problem
Industrial & Engineering Chemistry Research·2022· 3 cited
CCDC 2189297: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
2022-RA-1354-ESGO A new algorithm may highlight benefits from adding HE4 to CA125 in the preoperative assessment of premenopausal patients with pelvic mass
International Journal of Gynecological Cancer·2022Open Access
The synthesis and cytotoxic activity of N-unsubstituted 3-aryl-4-(trifluoromethyl)-4H-spiro[chromeno[3,4-c]pyrrolidine-1,11'-indeno[1,2-b]quinoxalines]
Chemistry of Heterocyclic Compounds·2022· 5 cited
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Frequent Co-authors

Alexandre Varnek(32), Ramil Nugmanov(25), Timur Gimadiev(20), Igor I. Baskin(14), Pavel Polishchuk(10), И. С. Антипин(9), Gilles Marcou(8), Dragos Horvath(7), Assima Rakhimbekova(7), Pavel Sidorov(6), Arkadii Lin(6), Valentina A. Afonina(5), А.В. Бодров(5), Tagir Akhmetshin(4), Olga Klimchuk(4), Marta Glavatskikh(4), Г. А. Чмутова(4), Mikhail A. Varfolomeev(4), Ravil N. Mukhametgaleev(3), William Bort(3)