Allchemy

Allchemy

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Allchemy is a resource-aware AI platform for drug discovery. It combines state-of-the-art computational synthesis with AI algorithms to predict molecular properties. Within minutes, Allchemy creates thousands of synthesizable lead candidates meeting user-defined profiles of drug-likeness, affinity towards specific proteins, toxicity, and a range of other physical-chemical measures. Allchemy encompasses the entire resource-to-drug design process and has been used in academic, corporate and classified environments worldwide to: Design synthesizable leads targeting specific proteins Evolve scaffolds similar to desired drugs Design “circular” drug syntheses from renewable materials Interface with and instruct automated synthesis platforms and optimize pilot-scale processes Operate “iterative synthesis” schemes Predict side reactions and create forensic “synthetic signatures” of hazardous/toxic molecules Design synthetic degradation and recovery cycles for various types of feedstocks and functional target molecules

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Features

Advantages

  • Can design synthesizable leads targeting specific proteins
  • Can evolve scaffolds similar to desired drugs
  • Can design “circular” drug syntheses from renewable materials
  • Can interface with and instruct automated synthesis platforms
  • Can optimize pilot-scale processes

Disadvantages

  • Can be expensive to use
  • Requires a high level of expertise to use effectively
  • May not be suitable for all drug discovery projects

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