Toxicity Prediction

Toxicity Prediction

Advanced Chemistry Development, Inc., (ACD/Labs)

The ACD/Percetpa platform has a collection of software modules that predict probabilities for basic toxicity endpoints.Choosing from a number of expert modules including hERG Inhibition, CYP3A4 Inhib...read more

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Description

 

The ACD/Percetpa platform has a collection of software modules that predict probabilities for basic toxicity endpoints.Choosing from a number of expert modules including hERG Inhibition, CYP3A4 Inhibition, Genotoxicity, Acute Toxicity, Aquatic Toxicity, Eye/Skin Irritation, Endocrine System Disruption, and Health Effects.

Predictions are made from chemical structure and based upon large validated databases and QSAR models, in combination with expert knowledge of organic chemistry and toxicology.

Features:  
•  From simple structure input (name, 2D structure, or SMILES string), obtain predicted values with a reliability index   
•  See a display of up to 5 similar compounds from within the training set with literature data and references   
•  Perform calculations of large compound collections with batch modules   
•  Access the related database in certain modules—fully searchable by a variety of parameters   
•  Train select models with in-house data to better reflect proprietary chemical space, and improve prediction accuracy

Benefits of ACD/Tox Suite  
•  Reduce attrition rates with early in silico toxicity screening   
•  Provide timely information to direct new compound synthesis   
•  Focus animal testing requirements   
•  Gain a clearer understanding of the toxicity profile of your compounds

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