Molecular de-novo design through deep reinforcement learning von Olivecrona, Marcus, Blaschke, Thomas, Engkvist, Ola, Chen, Hongming

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Application of Generative Autoencoder in De Novo Molecular Design von Blaschke, Thomas, Olivecrona, Marcus, Engkvist, Ola, Bajorath, Jürgen, Chen, Hongming

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Prediction of Compound Synthesis Accessibility Based on Reaction Knowledge Graph von Li, Baiqing, Chen, Hongming

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Memory-assisted reinforcement learning for diverse molecular de novo design von Blaschke, Thomas, Engkvist, Ola, Bajorath, Jürgen, Chen, Hongming

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Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models von Polykovskiy, Daniil, Zhebrak, Alexander, Sanchez-Lengeling, Benjamin, Golovanov, Sergey, Tatanov, Oktai, Belyaev, Stanislav, Kurbanov, Rauf, Artamonov, Aleksey, Aladinskiy, Vladimir, Veselov, Mark, Kadurin, Artur, Johansson, Simon, Chen, Hongming, Nikolenko, Sergey, Aspuru-Guzik, Alan, Zhavoronkov, Alex

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A de novo molecular generation method using latent vector based generative adversarial network von Prykhodko, Oleksii, Johansson, Simon Viet, Kotsias, Panagiotis-Christos, Arús-Pous, Josep, Bjerrum, Esben Jannik, Engkvist, Ola, Chen, Hongming

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Constructing Molybdenum Phosphide@Cobalt Phosphide Heterostructure Nanoarrays on Nickel Foam as a Bifunctional Electrocatalyst for Enhanced Overall Water Splitting von Huang, Yingchun, Chen, Hongming, Zhang, Busheng

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Randomized SMILES strings improve the quality of molecular generative models von Arús-Pous, Josep, Johansson, Simon Viet, Prykhodko, Oleksii, Bjerrum, Esben Jannik, Tyrchan, Christian, Reymond, Jean-Louis, Chen, Hongming, Engkvist, Ola

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Exploring the GDB-13 chemical space using deep generative models von Arús-Pous, Josep, Blaschke, Thomas, Ulander, Silas, Reymond, Jean-Louis, Chen, Hongming, Engkvist, Ola

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On the Integration of In Silico Drug Design Methods for Drug Repurposing von March-Vila, Eric, Pinzi, Luca, Sturm, Noé, Tinivella, Annachiara, Engkvist, Ola, Chen, Hongming, Rastelli, Giulio

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MraY–antibiotic complex reveals details of tunicamycin mode of action von Hakulinen, Jonna K, Hering, Jenny, Brändén, Gisela, Chen, Hongming, Snijder, Arjan, Ek, Margareta, Johansson, Patrik

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SMILES-based deep generative scaffold decorator for de-novo drug design von Arús-Pous, Josep, Patronov, Atanas, Bjerrum, Esben Jannik, Tyrchan, Christian, Reymond, Jean-Louis, Chen, Hongming, Engkvist, Ola

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Beyond Size, Ionization State, and Lipophilicity: Influence of Molecular Topology on Absorption, Distribution, Metabolism, Excretion, and Toxicity for Druglike Compounds von Yang, Yidong, Engkvist, Ola, Llinàs, Antonio, Chen, Hongming

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Mucus-penetrating nanoparticles made with “mucoadhesive” poly(vinyl alcohol) von Popov, Alexey, PhD, Enlow, Elizabeth, PhD, Bourassa, James, PhD, Chen, Hongming, ScD

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Combining data augmentation and deep learning for improved epilepsy detection von Ru, Yandong, Wei, Zheng, An, Gaoyang, Chen, Hongming

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EC-Conf: A ultra-fast diffusion model for molecular conformation generation with equivariant consistency von Fan, Zhiguang, Yang, Yuedong, Xu, Mingyuan, Chen, Hongming

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3D Conformational Generative Models for Biological Structures Using Graph Information-Embedded Relative Coordinates von Xu, Mingyuan, Huang, Weifeng, Xu, Min, Lei, Jinping, Chen, Hongming

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Can Generative-Model-Based Drug Design Become a New Normal in Drug Discovery? von Chen, Hongming

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A Self‐Assembled Biocompatible Nanoplatform for Multimodal MR/Fluorescence Imaging Assisted Photothermal Therapy and Prognosis Analysis von Wang, Lirong, Lin, Hongyu, Chi, Xiaoqin, Sun, Chengjie, Huang, Jiaqi, Tang, Xiaoxue, Chen, Hongming, Luo, Xiangjie, Yin, Zhenyu, Gao, Jinhao

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The impact of blood lactic acid levels on retinopathy of prematurity morbidity von Zhao, Congcong, Sun, Zhihong, Chen, Hongming, Li, Kaili, Sun, Huiqing

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