De Novo Design of Bioactive Small Molecules by Artificial Intelligence
نویسندگان
چکیده
منابع مشابه
De Novo Design of Bioactive Small Molecules by Artificial Intelligence
Generative artificial intelligence offers a fresh view on molecular design. We present the first-time prospective application of a deep learning model for designing new druglike compounds with desired activities. For this purpose, we trained a recurrent neural network to capture the constitution of a large set of known bioactive compounds represented as SMILES strings. By transfer learning, thi...
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ژورنال
عنوان ژورنال: Molecular Informatics
سال: 2018
ISSN: 1868-1743
DOI: 10.1002/minf.201700153