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Chem42: a ...
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Image Credit: Arxiv

Chem42: a Family of chemical Language Models for Target-aware Ligand Generation

  • Chem42 is a family of generative chemical Language Models designed to create novel ligands tailored to specific biological targets.
  • Most chemical Language Models fail to incorporate target-specific insights for de-novo ligand generation.
  • Chem42 integrates atomic-level interactions with inputs from Prot42, a protein Language Model, to improve molecular structure understanding and binding patterns.
  • The framework of Chem42 enables the creation of valid ligands with enhanced target specificity.
  • Evaluations show that Chem42 excels in chemical validity, target-aware design, and predicted binding affinity compared to existing approaches.
  • Chem42 could streamline the drug discovery process by reducing the search space for potential drug candidates.
  • The Chem42 models are available to the public at huggingface.co/inceptionai.

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