Andrei Dmitrenko

19 papers A* 2Journal 10Unranked 6
YearRankTypeTitle / Venue / Authors
2025 J jnl
Benchmarking Agentic Systems in Automated Scientific Information Extraction with ChemX.
CoRR
Anastasia Vepreva, Julia Razlivina, Maria Eremeeva, Nina Gubina, Anastasia Orlova, Aleksei Dmitrenko, Ksenya Kapranova, Susan Jyakhwo, Nikita Vasilev, Arsen Sarkisyan, Ivan Yu. Chernyshov, Vladimir Vinogradov, Andrei Dmitrenko
2025 — conf
ChemCoScientist: LLM-Based Multi-Agent Assistant for Automated Solving of Chemical Tasks Using Data-Driven Tools.
ICDM (Workshops)
Gleb V. Solovev, Ivan Gurev, Anastasia Vepreva, Ivan Dubrovsky, Alina B. Zhidkovskaya, Kamil Fatkhiev, Elizaveta Lutsenko, Anastasia Orlova, Nina Gubina, Nikolay O. Nikitin, Andrei Dmitrenko, Anna V. Kalyuzhnaya
2025 — conf
ChemPaperBench: A Multi-Domain Benchmark for Literature-Grounded Chemical Reasoning of LLM-Based Multi-Agent Systems.
ICDM (Workshops)
Ivan Dubrovsky, Kamil Fatkhiev, Anastasia Vepreva, Anastasia Orlova, Nina Gubina, Dina Shakirova, Rodion Golovinskii, Al Abbass Mohamed, Andrei Dmitrenko, Nikolay O. Nikitin, Anna V. Kalyuzhnaya
2025 J jnl
Chemical Space Exploration and Reinforcement Learning for Discovery of Novel Benzimidazole Hybrid Antibiotics.
J. Chem. Inf. Model.
Karina Urazmanova, Anastasia Orlova, Anton Ber, Vladimir Vinogradov, Andrei Dmitrenko
2025 — conf
From Molecules to Aromas: 2D Chemical Maps Enable Accurate Prediction of Wine Flavors.
ICDM (Workshops)
Viktoria Lobutova, Daria Chechueva, Valeria Odegova, Vladimir Vinogradov, Andrei Dmitrenko
2025 J jnl
Integrating QSAR modelling with reinforcement learning for Syk inhibitor discovery.
J. Cheminformatics
Maria Zavadskaya, Anastasia Orlova, Andrei Dmitrenko, Vladimir Vinogradov
2025 — conf
MADD: Multi-Agent Drug Discovery Orchestra.
EMNLP (Findings)
Gleb V. Solovev, Alina B. Zhidkovskaya, Anastasia Orlova, Nina Gubina, Anastasia Vepreva, Rodion Golovinskii, Ilya Tonkii, Ivan Dubrovsky, Ivan Gurev, Dmitry Gilemkhanov, Denis Chistiakov, Timur A. Aliev, Ivan Poddiakov, Galina Zubkova, Ekaterina V. Skorb, Vladimir Vinogradov, Alexander Boukhanovsky, Nikolay O. Nikitin, Andrei Dmitrenko, Anna V. Kaluzhnaya, Andrey V. Savchenko
2025 J jnl
MADD: Multi-Agent Drug Discovery Orchestra.
CoRR
Gleb V. Solovev, Alina B. Zhidkovskaya, Anastasia Orlova, Nina Gubina, Anastasia Vepreva, Rodion Golovinskii, Ilya Tonkii, Ivan Dubrovsky, Ivan Gurev, Dmitry Gilemkhanov, Denis Chistiakov, Timur A. Aliev, Ivan Poddiakov, Galina Zubkova, Ekaterina V. Skorb, Vladimir Vinogradov, Alexander Boukhanovsky, Nikolay O. Nikitin, Andrei Dmitrenko, Anna V. Kaluzhnaya, Andrey V. Savchenko
2025 J jnl
Pharmacophore-Guided Generative Design of Novel Drug-Like Molecules.
CoRR
Ekaterina Podplutova, Anastasia Vepreva, Olga A. Konovalova, Vladimir Vinogradov, Dmitrii O. Shkil, Andrei Dmitrenko
2024 A* conf
Hybrid Generative AI for De Novo Design of Co-Crystals with Enhanced Tabletability.
NeurIPS
Nina Gubina, Andrei Dmitrenko, Gleb V. Solovev, Lyubov Yamshchikova, Oleg Petrov, Ivan Lebedev, Nikita Serov, Grigorii Kirgizov, Nikolay O. Nikitin, Vladimir Vinogradov
2024 J jnl
Hybrid Generative AI for De Novo Design of Co-Crystals with Enhanced Tabletability.
CoRR
Nina Gubina, Andrei Dmitrenko, Gleb V. Solovev, Lyubov Yamshchikova, Oleg Petrov, Ivan Lebedev, Nikita Serov, Grigorii Kirgizov, Nikolay O. Nikitin, Vladimir Vinogradov
2024 A* conf
Unveiling the Potential of AI for Nanomaterial Morphology Prediction.
ICML
Ivan Dubrovsky, Andrei Dmitrenko, Aleksei Dmitrenko, Nikita Serov, Vladimir Vinogradov
2024 J jnl
Unveiling the Potential of AI for Nanomaterial Morphology Prediction.
CoRR
Ivan Dubrovsky, Andrei Dmitrenko, Aleksei Dmitrenko, Nikita Serov, Vladimir Vinogradov
2023 J jnl
Regularized adversarial learning for normalization of multi-batch untargeted metabolomics data.
Bioinform.
Andrei Dmitrenko, Michelle Reid, Nicola Zamboni
2022 — —
Artificial Intelligence for Long-Term Reproducible High-Throughput Untargeted Metabolomics.
Andrei Dmitrenko
2022 — conf
Comparing representations of biological data learned with different AI paradigms, augmenting and cropping strategies.
MIDL
Andrei Dmitrenko, Mauro M. Masiero, Nicola Zamboni
2022 J jnl
Comparing representations of biological data learned with different AI paradigms, augmenting and cropping strategies.
CoRR
Andrei Dmitrenko, Mauro M. Masiero, Nicola Zamboni
2022 — conf
Self-supervised learning for analysis of temporal and morphological drug effects in cancer cell imaging data.
MIDL
Andrei Dmitrenko, Mauro M. Masiero, Nicola Zamboni
2022 J jnl
Self-supervised learning for analysis of temporal and morphological drug effects in cancer cell imaging data.
CoRR
Andrei Dmitrenko, Mauro M. Masiero, Nicola Zamboni