Absorption, Distribution, Metabolism, and Excretion and Toxicity Prediction

* Please be kindly noted that our services and products can only be used for research to organizations or companies and not intended for any clinical or individuals.

As a leading service provider in drug discovery and research, BOC Sciences is fully capable and committed to providing one-stop proteolysis targeting molecular drug discovery based on chimeric (PROTAC®). We provide ADME/Tox prediction services to customers around the world to meet new drug discovery goals.


PROTAC is a new technology to regulate the protein level through the degradation of target proteins by small molecular compounds, which has attracted much attention because of its unique mode of action. At the same time, as a new drug development strategy, PROTAC has great potential in overcoming drug resistance and traditional targets of 'unproprietary drugs'. For a lead compound or candidate drug molecule, in addition to its activity, its Absorption, Distribution, Metabolism, and Excretion (ADME) and Toxicity (Tox) are also key factors that determine whether it can become a successful drug. According to the statistics of FDA and other authoritative organizations in the United States, poor bioavailability and toxic characteristics account for more than 50% of drug research and development failures. It can be seen that it is particularly important to comprehensively evaluate the characteristics of pharmacokinetics and toxicity in the early stage of drug development.


The prediction of ADMET attributes plays an important role in the drug design process, as these attributes account for about 60% of all drug failures in the clinical phase. Traditionally using ADME tools at the end of the drug development process, ADME is now used in the early stages of the drug development process to remove ADME molecules with poor performance from the drug development process, resulting in significant savings in research and development costs.

Our Services

BOC Sciences has a group of scientists who have an in-depth understanding of the structure-attribute relationship. We help calculate the ADMET characteristics of molecules and then evaluate your molecules. The calculated results are used to eliminate candidates with unfavorable properties, and a structural improvement scheme is proposed to improve the properties of pre-synthesis ADMET. Our optimized scheme can combine ADMET prediction with VS and QSAR methods, thus greatly reducing the cost in the field of drug research.

Our Advantages

  • Decades of experience and one-on-one support
  • Creativity and chemistry/biology problem solving
  • Competitive pricing and fast turn-around time
  • Highly reliable and reproducible results
  • The most state-of-the-art ADME and Tox property prediction computational methods and software tools


  1. Watt, G. F., Scott-Stevens, P., & Gaohua, L. (2019). Targeted protein degradation in vivo with proteolysis targeting chimeras: current status and future considerations. Drug Discovery Today: Technologies.
  2. Toure, M., & Crews, C. M. (2016). Small‐molecule Protacs: new approaches to protein degradation. Angewandte Chemie International Edition, 55(6), 1966-1973.

* PROTAC® is a registered trademark of Arvinas Operations, Inc., and is used under license.

BOC Sciences Support

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