AIMC Topic: Janus Kinase 3

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Machine learning-guided identification and simulation-based validation of potent JAK3 inhibitors for cancer therapy.

PloS one
Janus kinase 3 (JAK3) is a hematopoietic-specific kinase implicated in cytokine signaling and immune dysregulation and has recently been associated with cancer progression. However, selective and potent JAK3 inhibitors remain underdeveloped. In this ...

Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery.

Molecular pharmaceutics
Modern computational approaches and machine learning techniques accelerate the invention of new drugs. Generative models can discover novel molecular structures within hours, while conventional drug discovery pipelines require months of work. In this...