Chem ML/AI/Datasets
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Ежедневные статьи и новости из области машинного обучения в химии от сотрудников ИОНХ РАН @chemrussia

Для связи: @levkrasnov @st613laboratory @StasBezzubov
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December 10, 2024
Deep-PK: deep learning for small molecule pharmacokinetic and toxicity prediction

https://doi.org/10.1093/nar/gkae254

Нашли на просторах интернета новый сервис, который позволяет предсказывать бесплатно 64 ADMET и 9 общих свойств молекул. По заявлению авторов делает это точнее, чем предыдущие известные модели.

🔥Ссылка на сервис: https://biosig.lab.uq.edu.au/deeppk/

📕Nucleic Acids Research (IF=16.6)
#method
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