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...

ver descrição completa

Detalhes bibliográficos

Principais autores:	Atsushi Yoshimori, Filip Miljković, Jürgen Bajorath
Formato:	Artigo
Idioma:	Inglês
Publicado em:	MDPI AG 2022-01-01
coleção:	Molecules
Assuntos:	deep machine learning generative modeling kinase inhibitor design Bruton’s tyrosine kinase covalent inhibitors
Acesso em linha:	https://www.mdpi.com/1420-3049/27/2/570
Tags:	Adicionar Tag Sem tags, seja o primeiro a adicionar uma tag!