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Merck

Prediction to Preclinical

Chemistry Tools to Accelerate Drug Discovery​

Chemicals and Digital Solutions for Small-Molecule Drug Discovery

 Wherever you are in the small-molecule drug discovery process – whether it's hit identification, lead optimization, or preclinical testing – timely access to cutting-edge technologies and reliable lab materials is crucial for advancing research and achieving success. We recognize the importance of consistency in your work and the challenges of obtaining high-quality products within budget and on time. 

Chemists with specialized expertise are pivotal in the drug discovery journey, ensuring that potential drug candidates are identified, optimized, and rigorously tested for safety and efficacy. Our comprehensive portfolio of chemistry products and solutions brings breakthroughs closer than ever.

View our solutions tailored to your role.


Are you interested in enhancing your hit identification by using computer simulations and modeling techniques to predict molecular interactions, optimize drug candidates, and guide experimental design?

Our advanced solutions leverage AI to support computational chemists in molecular design, accelerate lead discovery, streamline retrosynthesis, and refine lead compounds to advance the discovery of novel therapeutics.

A woman in a peach blazer is demonstrating AI-powered AIDDISON™ software on a large touchscreen monitor. She is pointing at a colorful 3D molecular structure displayed on the screen, which represents molecular design, pharmacophore searches, and molecular docking used for effective drug discovery screening. The background shows an organized office environment with additional computer monitors and office supplies visible on a desk. The setting emphasizes the use of advanced technology in pharmaceutical research and development.
AIDDISON™ Drug Discovery Software

Explore vast chemical space using molecular modeling and virtual screening.

A scientist is sitting at a desk, using a computer with the SYNTHIA™ retrosynthesis software displayed on the monitor. The screen shows a complex network of colorful nodes and connections representing synthetic routes to complex molecules. The software interface includes options for filtering and analysis. The laboratory environment is modern, with other scientists working in the background, emphasizing the collaborative and high-tech nature of the research.
SYNTHIA™ Retrosynthesis Software

Efficiently discover and design  synthetic routes to complex molecules.

A scientist wearing a white lab coat and safety glasses is working in a laboratory. He is holding a test tube with a blue cap in one hand and a small device in the other. The laboratory bench is equipped with various glassware, including a vertical glass apparatus held by a clamp. The background shows shelves with additional laboratory equipment. The image is associated with the use of DyNAbind® DNA encoded library kits and DEL data software, which are tools for fragment-based and high-throughput screening in drug discovery.
DNA-Encoded Libraries (DELs)

Use DyNAbind® kits and DEL data software for fragment-based and high-throughput screening. 

A scientist wearing a white lab coat and blue gloves is handling small test tubes arranged in a pink rack. The test tubes are part of Aldrich Market Select's small molecule libraries, used for the rapid screening of compounds. The background shows a bright, clean laboratory environment with additional laboratory supplies and containers visible, emphasizing the organized and methodical nature of scientific research and compound screening.
Small Molecule Compound Libraries

Explore Aldrich Market Select to source small molecules from our chemical libraries for rapid screening of compounds. 


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