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    SynSmart has partnered with thinkMolecular to provide computational chemistry services complimenting with SynSmart’s medicinal chemistry teams to provide seamless services to its partners.

    thinkMolecular’s Offerings:

    Structure Mining Leveregaed Drug Design (SmiLeDD) is a computational drug design platform developed at thinkMolecular. The platform is a collection of a variety of proprietary, open-source and in-house tools that leverages the structural information of the target, biological data of known binders and associates the compounds with their plausible bioactive conformations in the targets. Thus, with the knowledge of the interaction hotspots and bioactive conformations, we design new compounds using denovo, fast follow-ons, fragment linking or any other suitable approach.

    Working alongside the medicinal chemistry teams and with laser sharp focus on the target product profile, we refine our predictive models with program specific data and enhance the possibilities of success. Along with the structure-based models for target specific designs, we predict ~50 DMPK properties and prioritize compounds for synthesis based on multi parameter optimization.

    The above is a non-exhaustive list of the technologies we employ in the design of compounds. These technologies help us to offer wide ranging services covering the entire gamut of new drug discovery from target validation to lead optimization. Please get in touch with us to know more about these technologies and how we use those in speeding up your design-make-test cycles and bringing efficiencies.

    Other than typical drug discovery projects, we also offer insights into your chemical biology experiments, technological due diligence of the assets, create target dossiers, offer consultation services, ideate for IP generation and design of large virtual libraries.

    In short, we employ a predict first approach for every experiment in the drug discovery landscape. Let us know how we can enhance your efficiencies today. Come, design with us.

    Please visit us at https://www.thinkmolecular.in for more information on the services offered.