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Screening & Optimization of Reaction Conditions


Chemical reactions require specific conditions to occur, such as temperature, pressure, concentration, and catalysts. Screening and optimization of these conditions are crucial for improving reaction yields, reducing reaction times, and minimizing costs.

In the past, the screening and optimization of reaction conditions often required huge costs, including time, energy, reagents and money. And now, artificial intelligence (AI) has become a powerful tool in chemical and drug discovery. Furthermore, modern developments in high-throughput experiments (THE) have expanded experimental capabilities to collect several thousand data points under limited conditions.

Suzuki-Miyaura Coupling Reaction Model and Screening ConditionsSuzuki-Miyaura Coupling Reaction Model and Screening Conditions [1]

Our Screening and Optimization Services

Alfa Chemistry has established our automated chemical synthesis platform to support you in the screening and optimization of reaction conditions quickly and efficiently.

Screening of Reaction Conditions

The screening process involves testing a range of reaction conditions, such as temperature, solvent, and catalyst, in order to identify the best conditions for the reaction to occur. Our screening scope includes but is not limited to:

  • Catalyst/ligand screening for various catalytic reactions
  • Acid/base/solvent screening for routine reactions
  • Hydrogenation catalyst screening
  • Reaction time, temperature and other conditions screening

Optimization of Reaction Conditions

Once the optimal reaction conditions have been identified, the next step is to optimize these conditions to produce the desired product in the highest possible yield. At Alfa Chemistry, we utilize a range of tools and techniques to optimize reaction conditions, including statistical modeling and design of experiments (DoE). We also make use of our extensive database of chemical information to inform our optimization efforts.

Our Capabilities for Screening and Optimization

Our Capabilities for Screening and Optimization

Large-scale catalyst/ligand/reagent storage library Large-scale catalyst/ligand/reagent storage library

Alfa Chemistry routinely prepares 200+ kinds of catalysts, more than 200+ kinds of ligands, 60+ kinds of chiral acids and chiral bases, and nearly 100 kinds of common acids and bases and solvents for screening.

High-throughput automated synthesis workstation High-throughput automated synthesis workstation

Alfa Chemistry has a high-throughput automated synthesis workstation to provide unparalleled high-throughput parallel synthesis. The types of synthetic reactions supported by our workstations include, but are not limited to, C-C/C-N coupling reactions, organometallic reactions (such as: Grignard reactions), alkylation reactions, Diels-Alder reactions, and transfer hydrogenation reactions.

Suzuki-Miyaura Coupling Reaction Model and Screening Conditions Experienced synthesis team

Although the automated operating system has the unique advantages of high throughput and stable synthesis performance, experienced synthetic chemists are still an irreplaceable part. Our chemists have rich experience in screening reaction conditions, which is an important guarantee for us to provide you with high-quality services.

Choose Alfa Chemistry

Our screening and optimization of reaction condition services remarkably reduce the cost, promote further experiments, and accelerate the process of chemical or drug design for customers worldwide. Our personalized and all-around services will satisfy your innovative study demands. If you are interested in our services, please don't hesitate to contact us. We are glad to cooperate with you and witness your success!


  • Perera, et al. Science, 2018, 359, 429–434.

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