Transforming Compound Management in DMPK with Whole-Process Management and Automated Storage

Compound management in DMPK is characterized by a diverse range of container types, a large number of compounds, and complex storage conditions. Automation relies on standardizing materials and consumables, along with the logistical distribution of large quantities of compounds to laboratories. These factors pose challenges for whole-process management and automated storage: how to manage the in-transit information of compounds effectively? How to implement automatic storage and retrieval of different container types? WuXi AppTec DMPK has been continuously optimizing automated compound storage through a specialized whole-process compound management system, and has achieved fully automated compound storage utilizing hardware design, software control, image recognition, machine learning, and system integration. This article will introduce the whole-process management of compounds in the Smart Compound Library, covering various stages from compound shipping to their reception, storage, use and return, or disposal.

Video: Smart Compound Library enables whole-process and automated management

Intelligent management of the whole life cycle from dispatch to disposal

Real-time tracking of package logistics

When a compound package is sent from a customer or a third party, the system enables real-time tracking and monitoring of the compound package by identifying the tracking number.

The whole-process management system alerts the compound receiver based on the packages' pickup time, ensuring timely attention to the logistic status, and guaranteeing that all packages arrive at the laboratory safely and on schedule. The system stores synchronized logistic information in real-time, compensating for the timeliness of querying historical waybill data on logistics platforms, and realizes one-click traceability from compounds to packages, and then from packages to logistics.

Figure 1. Compound whole-process nodes

Whole-process management

The whole-process management system records all the time nodes at which compounds are processed, from pick-up to sign-off, internal transfer, to disposal or return. This process is divided into three stages: before laboratory receipt, after laboratory receipt, and return or disposal. Prior to laboratory receipt, the system records the time nodes for the dispatch and receipt of the package by synchronizing the logistic information. Upon receipt, photos are taken to record the reception time, and intra-company transfers are logged, capturing the transfer time. The system generates corresponding time nodes for returns and disposals as well. In this way, we can ensure that the whole process is traceable, effective, and user friendly.

Once the compound is shipped by the customer, the system tracks all the transfer time nodes related to the compound throughout the project until its completion. This allows for more effective management of the complete project lifecycle report, leading to a more efficient experience for customers.

Figure 2. The whole life cycle of the compound from dispatch to disposal

Smart Compound Library: Fully automated efficiency enhancement and optimal space utilization

Fully automated warehousing and inventory management

During warehousing, there is no need for manual scanning of the container labels; simply placing the compound rack onto the temporary storage turn table to complete the storage. When retrieving from the warehouse, there is no need to know the specific location of the compound, just add the compound number to the pickup list and the system will automatically retrieve all compounds listed on the order and place them on the temporary storage turn table. In addition, the automatic inventory function compares the consistency between the physical object and the data automatically through the image recognition technology, and summarizes the inventory results, this allows the compound administrator to spend minimal time confirming the results.

The system records all the operation information, including scanning, location changes, operators, and more, ensuring data traceability and integrity.

Machine learning and image recognition for tube positions and angles

By conducting extensive image recognition training on tubes, a set of standard parameters can be established for accurate recognition. In the process, if the calculated parameters fall within the standard range, it is considered that the well contains a tube, and some key parameters such as coordinate information and similarity are displayed. Since factors such as lighting and angle can affect the identification of tubes in different locations, so corresponding standard parameters are set for each well. Similarly, multiple sets of recognition training and standard parameters are established for recognizing tubes of different specifications.

Figure 3. Recognition effect of 8mL containers

Flexible tube picking, barrier-free grasping of a variety of specifications of tubes

By identifying the rack barcode, the system determines the rack type and selects the appropriate gripping scheme. The picking scheme of each rack type includes gripping height, opening stroke, gripping angle, etc., combined with the results of digital photography and image recognition. The system has realized the automatic grabbing of tubes of various specifications, which are categorized by volume with a range from 0.7 to 8mL.

Figure 4. Multiple tube types that can be auto grabbed

Constant temperature and humidity and intelligent pressure stop

The smart compound library is equipped with a constant temperature and humidity air conditioning system, with temperature and humidity settings that comply with the regulatory standards. To ensure the safety management of the compound tubes, the system integrates a pressure sensor. During tube-picking, if the pressure exceeds the set value, the automation equipment will stop immediately to protect the tubes.

Mobile double-sided cabinet, four times the storage capacity

The Smart Compound Library employs a movable dense cabinet design, allowing the cabinet to spare a working channel for the mechanical arm to pick and place racks. This design maximizes the capacity of cabinets. Simultaneously, the system can perform defragmentation of compounds, improve the storage density of each rack, and optimize space utilization. Therefore, Smart Compound Library can achieve four times the storage capacity in the same space.

The bottom line

As informatization, automation, and intelligence continue to evolve, the integration of these technologies into pharmaceutical laboratories is progressively reshaping the future of experimental processes and methodologies. The whole-process management and smart compound library will strengthen the connection between the front and back ends, facilitating more effective solutions for clients. In the future, compound management will be more intelligent, automated, and precise, providing enhanced support for DMPK studies.

Authors: Minhao Fang, Ni Zhang, Wei Zhao, Hongye Li

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Committed to accelerating drug discovery and development, we offer a full range of discovery screening, preclinical development, clinical drug metabolism, and pharmacokinetic (DMPK) platforms and services. With research facilities in the United States (New Jersey) and China (Shanghai, Suzhou, Nanjing, and Nantong), 1,000+ scientists, and over fifteen years of experience in Investigational New Drug (IND) application, our DMPK team at WuXi AppTec are serving 1,600+ global clients, and have successfully supported 1,500+ IND applications.