Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis von Lin, Arkadii I, Madzhidov, Timur I, Klimchuk, Olga, Nugmanov, Ramil I, Antipin, Igor S, Varnek, Alexandre

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ChEMBL data sets von Akhmetshin, Tagir, Lin, Arkadii I., Mazitov, Daniyar, Ziaikin, Evgenii, Madzhidov, Timur, Varnek, Alexandre

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ZINC 250K data sets von Akhmetshin, Tagir, Lin, Arkadii I., Mazitov, Daniyar, Ziaikin, Evgenii, Madzhidov, Timur, Varnek, Alexandre

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Atom‐to‐atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies von Lin, Arkadii, Dyubankova, Natalia, Madzhidov, Timur I., Nugmanov, Ramil I., Verhoeven, Jonas, Gimadiev, Timur R., Afonina, Valentina A., Ibragimova, Zarina, Rakhimbekova, Assima, Sidorov, Pavel, Gedich, Andrei, Suleymanov, Rail, Mukhametgaleev, Ravil, Wegner, Joerg, Ceulemans, Hugo, Varnek, Alexandre

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Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug Discovery von Zabolotna, Yuliana, Bonachera, Fanny, Horvath, Dragos, Lin, Arkadii, Marcou, Gilles, Klimchuk, Olga, Varnek, Alexandre

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Chemography: Searching for Hidden Treasures von Zabolotna, Yuliana, Lin, Arkadii, Horvath, Dragos, Marcou, Gilles, Volochnyuk, Dmitriy M, Varnek, Alexandre

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Multi-task generative topographic mapping in virtual screening von Lin, Arkadii, Horvath, Dragos, Marcou, Gilles, Beck, Bernd, Varnek, Alexandre

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HyFactor: A Novel Open-Source, Graph-Based Architecture for Chemical Structure Generation von Akhmetshin, Tagir, Lin, Arkadii, Mazitov, Daniyar, Zabolotna, Yuliana, Ziaikin, Evgenii, Madzhidov, Timur, Varnek, Alexandre

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Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder von Bort, William, Mazitov, Daniyar, Horvath, Dragos, Bonachera, Fanny, Lin, Arkadii, Marcou, Gilles, Baskin, Igor, Madzhidov, Timur, Varnek, Alexandre

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HIV-1 drug resistance profiling using amino acid sequence space cartography von Pikalyova, Karina, Orlov, Alexey, Lin, Arkadii, Tarasova, Olga, Marcou, MarcouGilles, Horvath, Dragos, Poroikov, Vladimir, Varnek, Alexandre

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Diversifying chemical libraries with generative topographic mapping von Lin, Arkadii, Beck, Bernd, Horvath, Dragos, Marcou, Gilles, Varnek, Alexandre

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Comparison of electrostatic and localized plasmon induced light enhancement in hybrid InGaN/GaN quantum wells von Lin, Jie, Llopis, Antonio, Krokhin, Arkadii, Pereira, Sergio, Watson, Ian M., Neogi, Arup

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Mapping of the Available Chemical Space versus the Chemical Universe of Lead‐Like Compounds von Lin, Arkadii, Horvath, Dragos, Afonina, Valentina, Marcou, Gilles, Reymond, Jean‐Louis, Varnek, Alexandre

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Parallel Generative Topographic Mapping: An Efficient Approach for Big Data Handling von Lin, Arkadii, Baskin, Igor I., Marcou, Gilles, Horvath, Dragos, Beck, Bernd, Varnek, Alexandre

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Cartographie topographique générative : un outil puissant pour la visualisation, l'analyse et la modélisation de données chimiques volumineuses von Lin, Arkadii

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Reaction Data Curation I: Chemical Structures and Transformations Standardization von Gimadiev, Timur R., Lin, Arkadii, Afonina, Valentina A., Batyrshin, Dinar, Nugmanov, Ramil I., Akhmetshin, Tagir, Sidorov, Pavel, Duybankova, Natalia, Verhoeven, Jonas, Wegner, Joerg, Ceulemans, Hugo, Gedich, Andrey, Madzhidov, Timur I., Varnek, Alexandre

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Metallic Nanodroplet Induced Coulomb Catalysis for Off-Resonant Plasmonic Enhancement of Photoemission in Semiconductors von Neogi, Arup, Gryczynski, Karol, Llopis, Antonio, Lin, Jie, Main, Kyle, Shimada, Ryoko, Wang, Zhiming, Lee, Jihoon, Salamo, Gregory, Krokhin, Arkadii

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Clarification of Seismic Action Characteristics for Structure Calculations von Uzdin, Alexander, Sorokina, Galina, Kurbanov, Khudaynazar, Lin, Hong

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