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Browsing Articles by Author "f909b28a-479c-45dc-813c-05cd181e53ca"

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  • CHEML.IO: AN ONLINE DATABASE OF ML-GENERATED MOLECULES 
    Zhumagambetov, Rustam; Kazbek, Daniyar; Shakipov, Mansur; Maksut, Daulet; Peshkov, Vsevolod A.; Fazli, Siamac (Royal Society of Chemistry, 2020-12-22)
    Several recent ML algorithms for de novo molecule generation have been utilized to create an open-access database of virtual molecules. The algorithms were trained on samples from ZINC, a free database of commercially ...
  • TRANSMOL: REPURPOSING A LANGUAGE MODEL FOR MOLECULAR GENERATION 
    Zhumagambetov, Rustam; Molnár, Ferdinand; Peshkov, Vsevolod A.; Fazli, Siamac (RSC Advances, 2021)
    Recent advances in convolutional neural networks have inspired the application of deep learning to other disciplines. Even though image processing and natural language processing have turned out to be the most successful, ...