| 公開日期 | 標題 | 作者 | 來源出版物 | scopus | WOS | 全文 |
| 2019 | Application of Bioactivity Profile-Based Fingerprints for Building Machine Learning Models | Sturm, N.; Sun, J. M.; Vandriessche, Y.; Mayr, A.; Klambauer, G.; Carlsson, L.; Engkvist, O.; Hong-Ming Chen | Journal of Chemical Information and Modeling | | | |
| 2018 | Application of Generative Autoencoder in De Novo Molecular Design | Blaschke, T.; Olivecrona, M.; Engkvist, O.; Bajorath, J.; Hong-Ming Chen | Molecular Informatics | | | |
| 2019 | Applications of Deep-Learning in Exploiting Large-Scale and Heterogeneous Compound Data in Industrial Pharmaceutical Research | David, L.; Arus-Pous, J.; Karlsson, J.; Engkvist, O.; Bjerrum, E. J.; Kogej, T.; Kriegl, J. M.; Beck, B.; Hong-Ming Chen | Frontiers in Pharmacology | | | |
| 2017 | Applying Mondrian Cross-Conformal Prediction To Estimate Prediction Confidence on Large Imbalanced Bioactivity Data Sets | Sun, J. M.; Carlsson, L.; Ahlberg, E.; Norinder, U.; Engkvist, O.; Hong-Ming Chen | Journal of Chemical Information and Modeling | | | |
| 2018 | Cheminformatics in Drug Discovery, an Industrial Perspective | Hong-Ming Chen ; Kogej, T.; Engkvist, O. | Molecular Informatics | | | |
| 2019 | Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability | Laufkotter, O.; Sturm, N.; Bajorath, J.; Hong-Ming Chen ; Engkvist, O. | Journal of Cheminformatics | | | |
| 2012 | A comparative analysis of the molecular topologies for drugs, clinical candidates, natural products, human metabolites and general bioactive compounds | Hong-Ming Chen ; Engkvist, O.; Blomberg, N.; Li, J. | Medchemcomm | | | |
| 2019 | A de novo molecular generation method using latent vector based generative adversarial network | Prykhodko, O.; Johansson, S. V.; Kotsias, P. C.; Arus-Pous, J.; Bjerrum, E. J.; Engkvist, O.; Hong-Ming Chen | Journal of Cheminformatics | | | |
| 2009 | Designing a Combinatorial Library by Using Reagent Pharmacophore Fingerprint | Hong-Ming Chen ; Borjesson, U.; Engkvist, O.; Kogej, T.; Svensson, M. A.; Blomberg, N.; Weigelt, D.; Burrows, J. N.; Lange, T. | Qsar & Combinatorial Science | | | |
| 2017 | Erratum to: ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics (vol 9, pg 1, 2017) | Sun, J. M.; Jeliazkova, N.; Chupakhin, V.; Golib-Dzib, J. F.; Engkvist, O.; Carlsson, L.; Wegner, J.; Ceulemans, H.; Georgiev, I.; Jeliazkov, V.; Kochev, N.; Ashby, T. J.; Hong-Ming Chen | Journal of Cheminformatics | | | |
| 2017 | ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics | Sun, J. M.; Jeliazkova, N.; Chupakin, V.; Golib-Dzib, J. F.; Engkvist, O.; Carlsson, L.; Wegner, J.; Ceulemans, H.; Georgiev, I.; Jeliazkov, V.; Kochev, N.; Ashby, T. J.; Hong-Ming Chen | Journal of Cheminformatics | | | |
| 2019 | Exploring the GDB-13 chemical space using deep generative models | Arus-Pous, J.; Blaschke, T.; Ulander, S.; Reymond, J. L.; Hong-Ming Chen ; Engkvist, O. | Journal of Cheminformatics | | | |
| 2019 | Has Drug Design Augmented by Artificial Intelligence Become a Reality? | Hong-Ming Chen ; Engkvist, O. | Trends in Pharmacological Sciences | | | |
| 2019 | Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies | David, L.; Walsh, J.; Sturm, N.; Feierberg, I.; Nissink, J. W. M.; Hong-Ming Chen ; Bajorath, J.; Engkvist, O. | Chemmedchem | | | |
| 2011 | In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms | Hong-Ming Chen ; Winiwarter, S.; Friden, M.; Antonsson, M.; Engkvist, O. | Journal of Molecular Graphics & Modelling | | | |
| 2020 | Industry-scale application and evaluation of deep learning for drug target prediction | Sturm, N.; Mayr, A.; Van, T. L.; Chupakhin, V.; Ceulemans, H.; Wegner, J.; Golib-Dzib, J. F.; Jeliazkova, N.; Vandriessche, Y.; Bohm, S.; Cima, V.; Martinovic, J.; Greene, N.; Vander Aa, T.; Ashby, T. J.; Hochreiter, S.; Engkvist, O.; Klambauer, G.; Hong-Ming Chen | Journal of Cheminformatics | | | |
| 2013 | Investigation of the influence of molecular topology on ligand binding | Oka, R.; Engkvist, O.; Hong-Ming Chen | Journal of Molecular Graphics & Modelling | | | |
| 2012 | An Investigation of the Relationship Between Molecular Topology and CYP3A4 Inhibition for Drug-like Compounds | Oka, R.; Engkvist, O.; Hong-Ming Chen | Molecular Informatics | | | |
| 2014 | Mining Molecular Pharmacological Effects from Biomedical Text: a Case Study for Eliciting Anti-Obesity/Diabetes Effects of Chemical Compounds | Dura, E.; Muresan, S.; Engkvist, O.; Blomberg, N.; Hong-Ming Chen | Molecular Informatics | | | |
| 2017 | Molecular de-novo design through deep reinforcement learning | Olivecrona, M.; Blaschke, T.; Engkvist, O.; Hong-Ming Chen | Journal of Cheminformatics | | | |
