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MSR AI for Science

Small molecules

Bringing scale, speed, and precision to molecular discovery with AI

Publications

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- Chemist-aligned retrosynthesis by ensembling diverse inductive bias models
  
  Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Austin Tripp, Junren Li, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
  
  August 2025
  
  Publication
- Chimera: Accurate retrosynthesis prediction by ensembling models with diverse inductive biases
  
  Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
  
  December 2024
  
  Publication Video

- Chemist-aligned retrosynthesis by ensembling diverse inductive bias models
  
  Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Austin Tripp, Junren Li, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
  
  August 2025
  
  Publication
- Chimera: Accurate retrosynthesis prediction by ensembling models with diverse inductive biases
  
  Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
  
  December 2024
  
  Publication Video

- Chemist-aligned retrosynthesis by ensembling diverse inductive bias models
  
  Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Austin Tripp, Junren Li, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
  
  August 2025
  
  Publication
- Chimera: Accurate retrosynthesis prediction by ensembling models with diverse inductive biases
  
  Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
  
  December 2024
  
  Publication Video

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