AI-Assisted Chemical Synthesis and Process Optimization

MolScanner has extensive practical experience in the field of process chemistry. By leveraging artificial intelligence technology, it has achieved fully automated operation and management of building block process development and optimization, significantly improving production efficiency and reducing production costs.

Route Scouting

Finding a suitable synthesis route for a target molecule requires a significant amount of time and effort from chemists, especially for molecules with unknown synthesis routes. A good synthesis route needs to meet several factors: 1. Few steps, high yield, and low cost; 2. Avoiding the use of toxic and harmful reagents, and avoiding dangerous reactions; 3. Minimizing waste and adhering to green chemistry principles; 4. Avoiding patent infringement. With the capabilities of ChemAIRS, MolScanner can quickly screen or design one or more efficient, safe, and cost-effective synthesis routes, and these can be rapidly validated through the automated synthesis laboratory - ChemAILab.

Reaction Condition Optimization

The combination of a suitable synthesis route and reasonable reaction conditions is key to obtaining a successful process route. MolScanner can perform multiple reaction condition trials in a short period, improving efficiency by up to 24 times compared to manual experiments. At the same time, MolScanner's R&D team make decisions quickly and accurately based on the results of automated analysis and detection, adjust process parameters, and ultimately determine the key reaction conditions (such as temperature, pressure, pH, reaction time, etc.) and material ratios.

Exploring Alternative Reagents and Synthetic Materials

Finding cheaper and more effective reagents can significantly improve process efficiency. Additionally, the quality of the initial materials and the stability of the supply chain are key factors in ensuring process stability and consistent production capacity. MolScanner can provide customers with viable alternative reagents and synthetic materials, improving reaction performance while controlling costs and maintaining process and production capacity stability.

By-product and Impurity Profile Analysis

The purity, crystal form, and impurity profile of building blocks directly affect the quality of downstream products, especially the impurity profile, which ultimately impacts the quality of the API. Therefore, it is essential to analyze the by-products and impurities along the process route. ChemAIRS has the ability to automatically predict by-products and impurities, assisting researchers in optimizing reaction conditions.

Process Stability Scale-up

From small-scale synthesis to industrial production, maintaining consistency in yield, cost, and reaction conditions presents significant challenges. It involves various factors such as mass transfer, heat transfer, equipment compatibility, and intermediate stability, etc. MolScanner's intelligent module can provide optimized scale-up strategies, which not only maintains high efficiency of process production, but also minimizes R&D time and costs.