Computational Chemistry

SynSmart has partnered with thinkMolecular to provide computational chemistry services complementing SynSmart’s medicinal chemistry teams to provide seamless services to its partners.
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Innovative Chemistry Technologies
About the service

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.
Program-Specific Predictive Modeling
Structure-Based Compound Design
Multi-Parameter Optimization & ~ 50 DMPK Prediction

A Comprehensive Technology Matrix

This 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. 

Accelerate your design-make-test
Cycle with SynSmart

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SynSmart Rasayan Research , Navi Mumbai, Maharashtra 400701, India

bd@synsmart.in

+91 84540 99758