公開日期 | 標題 | 作者 | 來源出版物 | WOS | 全文 |
---|---|---|---|---|---|
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 | ||
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 | ||
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 | ||
2017 | On the Integration of In Silico Drug Design Methods for Drug Repurposing | March-Vila, E.; Pinzi, L.; Sturm, N.; Tinivella, A.; Engkvist, O.; Hong-Ming Chen ; Rastelli, G. | Frontiers in Pharmacology |