Customize ACD/ADME Suite with any combination of these available modules:
| Prediction Modules Available in ACD/ADME Suite | Additional Documentation | |
|---|---|---|
|
P-gp Specificity Trainable! |
Identify substrates and inhibitors of P-glycoprotein | Data Sheet |
| Oral Bioavailability | Obtain a quick report of a series of properties and factors that preclude high oral availability | |
| Absolv | Calculate solvation-associated properties from Abraham-type equations | |
| Passive Absorption | Apply mechanistic models of human intestinal permeability, Caco-2 permeability, and the extent of oral absorption to predict the likelihood of passive absorption for your compounds | Data Sheet |
| Blood Brain Barrier Penetration | Predict passive blood brain barrier (BBB) penetration (expressed as LogPS constants) | Data Sheet |
|
Distribution Trainable! |
Estimate the strength of drug binding to human plasma proteins, and their apparent volume of distribution (Vd) | Data Sheet |
| P450 Inhibitors Trainable! |
Calculate the probability that your compound will be an inhibitor of one of the five major drug metabolizing enzymes—CYP3A4, CYP2D6, CYP2C9, CYP2C19, and CYP1A2 | Validation and Benefits of Training |
| P450 Substrates Trainable! |
Calculate the probability that your compound will be a substrate of one of the five major drug metabolizing enzymes—CYP3A4, CYP2D6, CYP2C9, CYP2C19, and CYP1A2 | Data Sheet (Inhibitors, Substrates, and Regioselectivity) |
| P450 Regioselectivity | Predicts the sites on your compound most likely to be susceptible to metabolism by human liver microsomes and the 5 major isoforms of CYP450. Possible biotransformation reactions are also proposed. | Compare P450 Regioselectivity Results |
| Maximum Recommended Daily Dose | Approximate an estimation of the maximum oral dose of drug that can be used in the clinic | |
| PK Explorer | Consider the effect of changing multiple compound properties simultaneously, on the ADME profile | Data Sheet |
| Additional Available Properties | Access a variety of fast and reliable physicochemical property predictors. Learn more... | |
