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.