Related Experiment Video
Updated: Mar 19, 2026
09:04
A Human 3D Extracellular Matrix-Adipocyte Culture Model for Studying Matrix-Cell Metabolic Crosstalk
Published on: November 7, 2019
10.1K
Modeling ADMET
Jayeeta Ghosh1, Michael S Lawless1, Marvin Waldman1
1Simulations Plus, Inc., 42505 10th Street West, Lancaster, 93534-7059, CA, USA.
Methods in Molecular Biology (Clifton, N.J.)
|June 18, 2016
Summary
Computational tools predict drug molecule ADMET profiles early in discovery. This approach minimizes costly late-stage failures due to poor pharmacokinetics and toxicity, streamlining drug development.
Area of Science:
- Drug Discovery and Development
- Computational Chemistry
- Pharmacokinetics
Background:
- Drug discovery is expensive and time-consuming.
- Late-stage failures are often due to poor Adsorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) profiles.
- Early identification of ADMET issues is crucial.
Purpose of the Study:
- To detail the development and application of ADMET models.
- To demonstrate the use of ADMET Predictor™ 7.2 software.
- To highlight the importance of early ADMET profiling in drug discovery.
Main Methods:
- Development of in silico ADMET models.
- Application of computational tools for prediction.
- Utilizing ADMET Predictor™ 7.2 software for analysis.
Main Results:
- Established methods for developing and applying ADMET models.
- Demonstrated the practical use of ADMET Predictor™ 7.2.
- Provided a framework for early-stage ADMET assessment.
Conclusions:
- Early ADMET profiling is essential for efficient drug discovery.
- Computational tools like ADMET Predictor™ 7.2 facilitate early assessment.
- Integrating ADMET models reduces late-stage attrition and development costs.
Related Concept Videos
01:26Modeling in Therapy
672
Modeling, a key technique in therapy, uses observational learning to help clients acquire and practice new skills by watching therapists demonstrate desired behaviors. This approach, rooted in Albert Bandura's concept of vicarious learning, plays a significant role in therapeutic interventions for various psychological conditions, including social anxiety, ADHD, and depression.
Participant Modeling
Participant modeling involves therapists demonstrating calm and effective behaviors in...
Participant Modeling
Participant modeling involves therapists demonstrating calm and effective behaviors in...
672
01:14Steps in the Modeling Process
789
Albert Bandura's theory of observational learning identifies four critical processes: attention, retention, motor reproduction, and reinforcement or motivation.
Attention is the first necessary component for observational learning. It involves focusing on what the model is doing and saying. For example, if you decide to take a drawing class to enhance your skills, you need to pay close attention to the instructor's words and hand movements. The characteristics of the model significantly...
Attention is the first necessary component for observational learning. It involves focusing on what the model is doing and saying. For example, if you decide to take a drawing class to enhance your skills, you need to pay close attention to the instructor's words and hand movements. The characteristics of the model significantly...
789
01:12Modeling and Similitude
705
Scaled modeling is a fundamental technique in engineering, enabling the study of large and complex systems by creating smaller, manageable replicas that recreate critical characteristics of the original. In hydrology and civil infrastructure, for example, scaled models of dams help analyze water flow, turbulence, and pressure. This method allows for accurate predictions of real-world behavior within a controlled environment, significantly reducing the cost and time involved in full-scale...
705
00:53Olefin Metathesis Polymerization: Acyclic Diene Metathesis (ADMET)
2.3K
Acyclic diene metathesis polymerization or ADMET polymerization involves cross-metathesis of terminal dienes, such as 1,8-nonadiene, to give linear unsaturated polymer and ethylene. As ADMET is a reversible process, the formed ethylene gas must be removed from the reaction mixture to complete the polymerization process.
Similar to cross-metathesis, ADMET also involves the formation of metallacyclobutane intermediate by [2+2] cycloaddition of one of the double bonds of a terminal diene with...
Similar to cross-metathesis, ADMET also involves the formation of metallacyclobutane intermediate by [2+2] cycloaddition of one of the double bonds of a terminal diene with...
2.3K
01:29Adsorption Isotherms I
104
Adsorption isotherms are mathematical models that describe how molecules in a gas or liquid phase interact with surfaces. Two of the most common isotherm models are the Langmuir and Freundlich isotherms, which relate to Type I monolayer chemisorption. The Langmuir model is based on four key assumptions:• Adsorption cannot exceed monolayer coverage.• All surface sites are equivalent.• Molecules adsorb only at vacant sites.• There are no interactions between adsorbed...
104
01:28Methods of Medium Optimization
1
Optimizing growth media enhances microbial proliferation and maximizes product yield. Statistical experimental design methodologies provide structured and reproducible approaches, offering progressively higher levels of robustness and efficiency.The One-Factor-at-a-Time (OFAT) MethodThe One-Factor-at-a-Time (OFAT) method involves adjusting a single variable while keeping all others constant. However, it cannot detect interactions between variables, often leading to suboptimal outcomes when...
1