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XAI-guided drug discovery CIMPLRX selects CDD Vault as its data management platform

CDD Vault research informatics system

SEOUL, SOUTH KOREA, April 20, 2022 / -- XAI-guided drug discovery firm, CIMPLRX, has licensed Collaborative Drug Discovery’s (CDD’s) hosted chemistry and biological data management platform, CDD Vault, as a central, key repository for its compound, medicinal chemistry, and experimental data.

Established in 2017, CIMPLRX is leveraging a proprietary, explainable AI (XAI)-guided discovery platform known as CEEK-CURE (Create ExplainablE Knowledge-Collect and Uncover RElationships) to discover and optimize new compounds, and identify the mechanism of action (MOA) of compounds, for multiple therapeutic areas.

Originally developed by CIMPLRX founder and CEO Sung Jin Cho, the CEEK-CURE platform explains prediction models and describes the drug discovery processes to aid researchers to make better decisions. Cho has over 20 years of experience in developing drug discovery platforms at Bristol-Myers Squibb, Amgen and CHDI before founding CIMPLRX.

CIMPLRX hopes that using CDD Vault as a central repository for data and experimental workflows will also facilitate drug discovery and development collaborations with global pharma and biotech partners, and potentially be integral to future licensing out of the CEEK-CURE platform. “The CDD Vault API and tools make it easy for us to organize and pull in data,” Cho added.

CIMPLRX is developing an in house and partnered pipeline of drugs for multiple therapeutic areas, with a focus on oncology. Since the second half of 2021 the company has signed drug discovery deals with Korea’s major pharmaceutical companies and biotech companies including Dong-A ST, SK Chemicals, Shin Poong Pharm., and Dongwha Pharm., focused on specific, undisclosed indications and target proteins. Under terms of the deals, CIMPLRX will be responsible for in silico identification of hits/MOA, hit-to-lead optimization, and lead optimization using the CEEK-CURE platform, which the partners will then verify and potentially move into commercialization.

CIMPLRX’s drug discovery platform, “CEEK-CURE”, has been developed based on medicinal chemistry and is characterized by its unique ability to explain both prediction models and discovery processes. By using our technology to conduct internal and external drug discovery research, we hope to better understand drug discovery activities and ultimately to simplify the processes.

CDD’s ( flagship product, “CDD Vault®”, is used to manage chemical registration, structure-activity relationships (SAR), and securely scale collaborations. CDD Vault® is a hosted database solution for secure management and sharing of biological and chemical data. It lets you intuitively organize chemical structures and biological study data, and collaborate with internal or external partners through an easy to use web interface. Available modules within CDD Vault include Activity & Registration, Visualization, Inventory, and ELN.

Mariana Vaschetto