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1,280 claims from 801 papers are on the record. 46 have been checked so far; the other 1,234 have no check with a result yet.

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Status: Unchecked ×Keyword: drug discovery ×Clear all

2 claims from 2 papers

1. Computer Science › Computational Drug Discovery Methods

   Chai-1: Decoding the molecular interactions of life

   Discovery, Boitreaud, Dent et al. · bioRxiv (Cold Spring Harbor Laboratory) · 2024

   The paper introduces Chai-1, a multi-modal foundation model for molecular structure prediction that it reports performs at state-of-the-art across drug-discovery tasks, and releases it for use.

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   1. UncheckedThe paper states that Chai-1 can run without multiple sequence alignments (single-sequence mode) and keep most of its performance.“Chai-1 can also be run in single-sequence mode with-out MSAs while preserving most of its performance.”

2. Biochemistry, Genetics and Molecular Biology › Protein Structure and Dynamics

   State-specific protein–ligand complex structure prediction with a multiscale deep generative model

   Qiao, Nie, Vahdat, Miller and Anandkumar · Nature Machine Intelligence · 2024

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   1. Unchecked“Moreover, owing to its specificity in sampling both ligand-free-state and ligand-bound-state ensembles, NeuralPLexer consistently outperforms AlphaFold2 in terms of global protein structure accuracy on both representative structure pairs with large conformat…