ACD/Labs' physicochemical and ADMET prediction software provides…a surprising wealth of information on
compound drug-likeness in a simple to use, intuitive format with excellent output graphics.
Bill Simmons, Layola University
For almost two decades we have delivered value to scientists all over the world through solutions that help them predict and understand the behaviour of their compounds; through examination of structure-property relationships from structure.
With continued excellence in prediction, a broad range of tools and applications, flexible licensing, and a variety of deployment options, we are confident that we can provide a solution to meet your needs.
We offer a number of options that make it easy to deploy our predictors to small groups, departments, or the entire organization:
For compound screening, populating corporate databases, using predicted values as descriptors for in-house predictive models, or utilizing our prediction algorithms in your data mining tools/workflows (such as Pipeline Pilot); our Linux-based Batch applications offer the ability to process tens of thousands of compounds in minutes with limited human intervention.
Implement our ACD/I-Lab for Intranets API to provide our predictions and structure-enabled databases to multiple users over your custom intranet interface. All you need are simple internet connections, protected by your own security systems and firewalls, for easy broad deployment.
The ACD/Percepta platform provides a number of tools to help individuals and small groups investigate Physicochemical properties, ADME characteristics, and Toxicity endpoints. The majority of modules offer model training with experimental data, to customize prediction accuracy to proprietary chemical space.