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Approach for the Design of Covalent Protein Kinase Inhibitors via Focused Deep Generative Modeling

Deep machine learning is expanding the conceptual framework and capacity of computational compound design, enabling new applications through generative modeling. We have explored the systematic design of covalent protein kinase inhibitors by learning from kinome-relevant chemical space, followed by...

Whakaahuatanga katoa

I tiakina i:
Ngā taipitopito rārangi puna kōrero
Ngā kaituhi matua: Atsushi Yoshimori, Filip Miljković, Jürgen Bajorath
Hōputu: Artigo
Reo:Inglês
I whakaputaina: MDPI AG 2022-01-01
Rangatū:Molecules
Ngā marau:
Urunga tuihono:https://www.mdpi.com/1420-3049/27/2/570
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