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At CD ComputaBio, we are committed to pioneering the field of computational bioinformatics to accelerate drug discovery and development. Our full suite of services encompasses the generation and optimization of novel molecules, a critical aspect of modern drug research. Through unrivaled expertise and state-of-the-art algorithms, we offer a comprehensive range of solutions to address the complex challenges facing the life sciences industry.
Scaffold hopping is a fundamental strategy for molecular optimization and the exploration of chemical space. Our scaffold hopping service leverages advanced computational techniques to identify structurally diverse yet pharmacologically relevant molecular scaffolds. By systematically navigating chemical libraries, we facilitate the discovery of novel compounds with improved properties, enriching drug development pipelines.
Our de novo growth and optimization service empowers researchers to construct and refine molecular structures. Through sophisticated algorithms and predictive modeling, we enable the generation of molecular analogs with desired properties, such as enhanced potency, selectivity, and metabolic stability. This service plays a pivotal role in expanding the chemical diversity of compound libraries.
We provide access to cutting-edge databases and tools, including the Protein Ligand Database (PLDB), Crossminer and Relibase+. These resources provide comprehensive structural, chemical and biological information that is essential for the rational design and optimization of molecular entities. By integrating these databases and tools into our workflows, we enable researchers to make informed decisions and drive innovation in drug discovery.
CD ComputaBio's molecular design and optimization services are based on a proprietary algorithm that integrates machine learning, molecular modeling and cheminformatics. Our algorithm harnesses the power of predictive analytics and large-scale data analysis to accelerate the identification and refinement of promising candidate molecules. The algorithm's robustness and versatility make it an indispensable tool for predictive molecular design and optimization.
Our services have been successfully applied in a number of therapeutic areas including but not limited to:
Upon completion of the molecular design and optimization process, customers receive a comprehensive report that includes
At CD ComputaBio, our mission is to provide pharmaceutical and biotech organizations with powerful computational tools and expert guidance to accelerate drug discovery and development. Contact us today to learn how our molecule design and optimization services can push your research efforts to the forefront of modern drug discovery.