ASKCOS: Software tools for organic synthesis

Welcome to the ASKCOS website! Here, we have hosted a number of computational tools to assist in synthetic planning and other aspects of organic chemistry. These are listed and described in the Modules tab in the top navigation bar. Please keep in mind that this service is supported by a fixed amount of computational resources. Your requests may take significantly longer than expected if there are several other users on the site also performing computationally-expensive requests.

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This work began under the DARPA Make-It program (ARO W911NF-16-2-0023) and continues to be supported by the Machine Learning for Pharmaceutical Discovery and Synthesis Consortium. Several of the deployed models are described in publications listed here.

If you have any questions or if any of the links/images appear broken, please email askcos_support@mit.edu.

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