Computational Chemistry

SynSmart provides computational chemistry services that complement its medicinal chemistry capabilities, enabling seamless integration of computational insights with drug discovery and design programs.
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Computational Chemistry
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Innovative Chemistry Technologies
About the service

SynSmart’s Offerings

Our computational chemistry capabilities leverage structural information, biological data, and advanced computational tools to support rational compound design. By identifying target interaction hotspots and plausible bioactive conformations, we enable the design and optimization of novel compounds through approaches such as:
De novo Compound Design
Fast-Follow-On Design
Fragment Linking
Structure-Based Compound Design
Program-Specific Predictive Modeling
Multi-Parameter Optimization
DMPK Prediction (~50 parameters)

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 Chemistry
Journey with SynSmart

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