[{"data":1,"prerenderedAt":256},["ShallowReactive",2],{"blog-post-mara-and-cdd-integration-example":3,"blog-posts-slugs":22},{"data":4,"meta":18},[5],{"id":6,"attributes":7},24,{"title":8,"content":9,"createdAt":10,"updatedAt":11,"publishedAt":12,"date":13,"description":14,"keywords":15,"slug":16,"category":17},"MARA & CDD Integration Example","### Introduction\n\nWe are excited to showcase an integration between MARA by Nanome and Collaborative Drug Discovery (CDD Vault).\n\nIn this blog, we delve into a common workflow for drug discovery researchers. We break down the steps to leverage an online hosted database and the conversational interface MARA provides. \n\n### An example workflow \n\nWhen handling large data sets, choosing the right tools is essential for efficient data management and analysis. CDD Vault is a prime example of powerful data management software tailored for the purpose of aiding in drug discovery research. It serves as a comprehensive, centralized repository for all your research data, offering seamless integrations through their API. As illustrated in the GIF below, CDD Vault excels at intuitively organizing chemical structures and biological study data, making it an invaluable resource for researchers.\n\n\u003Ca href=\"https:\u002F\u002Fnanome.ai\u002Fmara\">\u003Cimg src=\"https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002FG1_CDD_Vault_Workings_04eb745ed6.gif\" style=\"max-width:100%; height:auto;\">\u003C\u002Fa>\n\n\n### Import CDD Vault data into MARA\n\nA standout feature of this integration is the harmonious flow that allows you to access data from CDD Vault directly within MARA, enabling you to apply your custom workflows effortlessly. By simply writing a natural language prompt in MARA, you can securely retrieve data from your saved workspace in CDD Vault—provided you specify the file name, project name, and vault name. This streamlined process ensures that your research data is always accessible and ready for further analysis.\n\n\u003Ca href=\"https:\u002F\u002Fnanome.ai\u002Fmara\">\u003Cimg src=\"https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002FG2_MARA_x_CDD_Vault_Workings_25ee5344c1.gif\" style=\"max-width:100%; height:auto;\">\u003C\u002Fa>\n\n### Modify your specified data through simple commands\n\nOnce your data is within the MARA ecosystem, you can continue to use natural language to communicate with MARA for it to perform specific, deterministic tools and subsequent workflows on your data.\n\nBreak down the molecules into R groups by decomposing them around a common core fragment, usually represented as a SMILES string. This process generates data tables that organize your molecules based on their distinct R groups, enabling easier analysis and comparison.\n\n\u003Ca href=\"https:\u002F\u002Fnanome.ai\u002Fmara\">\u003Cimg src=\"https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002FG3_Decomposing_SMILES_Strings_da8db58920.gif\" style=\"max-width:100%; height:auto;\">\u003C\u002Fa>\n\nOnce you have separated your fragments, search through them to easily isolate your molecules of interest.\n\n\u003Ca href=\"https:\u002F\u002Fnanome.ai\u002Fmara\">\u003Cimg src=\"https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002FG4_Br_Fragment_Search_3de9e8373b.gif\" style=\"max-width:100%; height:auto;\">\u003C\u002Fa>\n\nOnce you have found your fragments of interest, connect them to the SMILES string scaffold of your molecules  \n\n\u003Ca href=\"https:\u002F\u002Fnanome.ai\u002Fmara\">\u003Cimg src=\"https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002FG5_Br_Fragment_Combination_32859be780.gif\" style=\"max-width:100%; height:auto;\">\u003C\u002Fa>\n\n### Export updated data from MARA back into CDD Vault\n\nOnce you have completed your work in MARA, you can export content right back to CDD vault for further sharing and analysis!\n\n\u003Ca href=\"https:\u002F\u002Fnanome.ai\u002Fmara\">\u003Cimg src=\"https:\u002F\u002Fnanome-cms.s3.us-west-1.amazonaws.com\u002FG6_Export_from_MARA_to_CDD_Vault_656636ed2e.gif\" style=\"max-width:100%; height:auto;\">\u003C\u002Fa>\n\n\n### Summary\n\nMARA can help simplify enterprise scientific workflows and it can easily integrate with internal tools and databases. This blog showcases just one example of what you can do when you combine the power of MARA and CDD Vault. \n\nLearn more about CDD Vault [here](https:\u002F\u002Fwww.collaborativedrug.com\u002F) and sign up to try MARA yourself [here](https:\u002F\u002Ft.dripemail2.com\u002Fc\u002FeyJhbGciOiJIUzI1NiJ9.eyJhdWQiOiJkZXRvdXIiLCJpc3MiOiJtb25vbGl0aCIsInN1YiI6ImRldG91cl9saW5rIiwiaWF0IjoxNzIzNjU4NDE2LCJuYmYiOjE3MjM2NTg0MTYsImFjY291bnRfaWQiOiI0MjkwNjc2IiwiZGVsaXZlcnlfaWQiOiJxZ2dnNTNpNTBwZzltMDY0eW84ayIsInVybCI6Imh0dHBzOi8vbWFyYS5uYW5vbWUuYWkvP3V0bV9zb3VyY2U9ZW1haWwmdXRtX21lZGl1bT1lbWFpbCZ1dG1fY2FtcGFpZ249bWFyYS1sYXVuY2gmX19zPXFuampoaXYzMnJiMXdraWZ3aHNtIn0.BelzzoFHDQLOcglRaNJTp45PZxo57S-MEujZkV1JEWA). \n\nFor more information about MARA contact, or to enquire about enterprise deployment, talk to our team ([hello@nanome.ai](mailto:hello@nanome.ai)).\n\n","2024-08-21T12:31:35.930Z","2026-03-24T17:53:27.965Z","2024-08-23T14:09:36.641Z","2024-08-23","We are excited to showcase an integration between MARA by Nanome and Collaborative Drug Discovery (CDD Vault). In this blog, we delve into a common workflow of drug discovery researchers, breaking down the key steps in the process of leveraging an online hosted database and the conversational interface MARA provides. ","MARA, CDD Vault, Public Beta, Nanome, scientific informatics, computational chemistry, cheminformatics, bioinformatics, drug discovery, drug hunter, molecular design, structural biology, user feedback, customizable tools, scientific workflows, molecular dynamics, molecular docking, scientific computing, data democratization, scientific research tools, beta testing, secure deployments, virtual research environment, chemistry software, biology software, data analysis tools, AI in science, enterprise scientific platform, VR in science, lead optimization, target identification, pharmacophore modeling, QSAR, ADMET, drug design, medicinal 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