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As the pharmaceutical and biotechnology industries continue to grow, the need for fast and accurate predictions of molecular physicochemical properties is becoming increasingly important in drug discovery and development.CD ComputaBio is leading the way in providing advanced computational tools and services for predicting fundamental physicochemical properties, enabling researchers to make informed decisions and accelerating the drug development process.
At CD ComputaBio, we offer a full suite of services for rapid prediction of physicochemical properties designed to meet the diverse needs of our clients. Our services cover the prediction of a wide range of molecular properties critical to drug design and optimization, including but not limited to the following:
Our advanced algorithms accurately predict the solubility of small molecules in aqueous and non-aqueous solvents. This information is critical to understanding the bioavailability and formulation of potential drug candidates.
Lipophilicity is a fundamental property of drug molecules and is a key determinant of drug absorption, distribution, metabolism, and excretion (ADME) behavior. Our prediction models provide valuable information to understand the lipophilicity of compounds.
The ionization behavior of a molecule plays a crucial role in understanding its pharmacokinetic and pharmacodynamic profile. Our pKa prediction service provides accurate estimates of ionization constants over a wide range of pH values.
The partition coefficient of a compound between water and lipids is a key parameter influencing its absorption and distribution. Our algorithms provide rapid and reliable predictions of LogP and LogD values.
By leveraging advanced features and molecular descriptors, our algorithms can efficiently handle a wide range of chemical structures and predict their physicochemical properties with exceptional precision.
| Sample Requirements | Descriptions |
| Chemical structure information | Clients should submit the 2D or 3D molecular structure of the compound(s) of interest. We accept various file formats such as SDF, MOL, or PDB. |
| Additional information (Optional) | Clients may include any additional relevant information about the compound, such as experimental data or desired property predictions. |
Upon completion of the analysis, clients will receive detailed reports containing predictions and relevant information. The deliverables include a detailed analysis of the predicted properties, supporting statistical data, graphical representations, and any relevant contextual information. Additionally, clients will receive access to visualization tools, allowing for easy interpretation and analysis of the results.
At CD ComputaBio, we understand the crucial role that rapid and accurate prediction of physicochemical properties plays in the drug discovery and development process. Our cutting-edge technology and experienced team of scientists provide tailored solutions to meet clients' unique requirements. Contact us today to learn more about our service information.