ADME Suite

ADME Suite

ACD/Labs
Aurora Drug Discovery

Aurora Drug Discovery

Aurora Fine Chemicals
+
+

Related Products

  • TurboTenant
    743 Ratings
    Visit Website
  • Nasdaq Metrio
    14 Ratings
    Visit Website
  • SDS Manager
    4 Ratings
    Visit Website
  • AlisQI
    92 Ratings
    Visit Website
  • Propel
    199 Ratings
    Visit Website
  • Infor M3
    151 Ratings
    Visit Website
  • Aaniie
    73 Ratings
    Visit Website
  • WaitWell
    179 Ratings
    Visit Website
  • LabWare LIMS
    113 Ratings
    Visit Website
  • CareLineLive
    173 Ratings
    Visit Website

About

Predict absorption, distribution, metabolism, and excretion (ADME) properties from chemical structure. This collection of high-quality calculations of pharmacokinetic properties supports high-throughput screening of libraries, provides insights into pharmacological effects, and can help assure that products are safe for human use.

About

Aurora employs quantum mechanics, thermodynamics, and an advanced continuous water model for solvation effects to calculate ligand´s binding affinities. This approach differs dramatically from scoring functions that are commonly used for binding affinity predictions. By including the entropy and aqueous electrostatic contributions in to the calculations directly, Aurora algorithms produce much more accurate and robust values of binding free energies. Interaction of a ligand with a protein is characterized by the value of binding free energy. The free energy (F) is the thermodynamic quantity that is directly related to experimentally measurable value of inhibition constant (IC50) and depends on electrostatic, quantum, aqueous solvation forces, as well as on statistical properties of interacting molecules. There are two major contributing quantities leading to non-additivity in F: 1) the electrostatic and solvation energy and 2) the entropy.

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Audience

Drug Discovery Chemists

Audience

Pharmacies looking for a Drug Discovery solution

Support

Phone Support
24/7 Live Support
Online

Support

Phone Support
24/7 Live Support
Online

API

Offers API

API

Offers API

Screenshots and Videos

Screenshots and Videos

Pricing

No information available.
Free Version
Free Trial

Pricing

No information available.
Free Version
Free Trial

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Training

Documentation
Webinars
Live Online
In Person

Training

Documentation
Webinars
Live Online
In Person

Company Information

ACD/Labs
Founded: 1994
Canada
www.acdlabs.com/products/percepta-platform/adme-suite/

Company Information

Aurora Fine Chemicals
Founded: 1990
United States
aurorafinechemicals.com/drug-discovery-software.html

Alternatives

Alternatives

SILCS

SILCS

SilcsBio
ACD/Labs Percepta Platform

ACD/Labs Percepta Platform

Advanced Chemistry Development
Absolv

Absolv

ACD/Labs
3decision

3decision

Discngine
alvaBuilder

alvaBuilder

Alvascience

Categories

Categories

Integrations

No info available.

Integrations

No info available.
Claim ADME Suite and update features and information
Claim ADME Suite and update features and information
Claim Aurora Drug Discovery and update features and information
Claim Aurora Drug Discovery and update features and information