ACD/Structure Design Engine
Developed for synthetic chemists, ACD/Structure Design Engine is a software tool that aids chemical structure optimization based on pre-defined physicochemical, ADME (Absorption Distribution Metabolism and Excretion), and toxicity requirements.
Use the structure design engine to:
- Focus synthetic efforts on analogs that meet objectives for physicochemical and ADME-Tox properties
- Explore structure-property relationships by testing the influence of structure modifications on the property profile
Customize your level of prediction detail
Customize your structure design application by selecting the profiler most appropriate to your work, or choose from our full range of
physicochemical, ADME, and toxicity prediction modules for more detailed information.
Use various tools to help filter and sort results
The structure design engine includes a variety of tools that allow you to extensively filter, sort, and rank results giving you the freedom to explore diverse
chemical space and generate hundreds of analogs. Not only can you use predictions within the software, but import your own data (potency, for example) to help rank results.
Apply in-house data
The ability to train prediction algorithms with in-house experimental data, and include other experimental and predicted data (such as potency or toxicity)
extends the application into your proprietary chemical space, and allows you to further customize it according to the data available for your project.
