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CD ComputaBio is a leading company specializing in computer-aided drug design. We understand that drug solubility plays a crucial role in determining a drug's effectiveness and bioavailability. Therefore, we offer comprehensive drug solubility prediction services using advanced computational algorithms and technologies. Our team of expert scientists and computational chemists is committed to providing accurate and reliable predictions to facilitate the drug discovery and development process.
Our solubility prediction services utilize state-of-the-art computational techniques that can accurately estimate the solubility of drug candidates. By analyzing various physicochemical properties, such as molecular weight, lipophilicity, hydrogen bonding, etc., we can evaluate the drug's potential solubility in different solvents and conditions. This information can help pharmaceutical companies make informed decisions during the early stages of drug development.
Choosing the right solvent is crucial to enhance drug solubility and improve bioavailability. Our experts can assist in selecting suitable solvents based on the predicted solubility profile of the drug compound. By considering factors such as solute-solvent interactions, stability, toxicity, and cost, we ensure the optimal selection of solvents that meet your specific requirements.
In addition to predicting drug solubility, we can also provide formulation optimization services to improve the solubility and stability of drug compounds. Our team can suggest various formulation strategies, such as the addition of co-solvents, surfactants, and complexation agents, or the use of solid-state modifications like polymorphs, amorphous forms, or salt forms. These strategies aim to enhance drug dissolution and improve therapeutic outcomes.
Our drug solubility prediction relies on a combination of machine learning algorithms, molecular dynamics simulations, and quantitative structure-property relationships (QSPR). By training our models on large datasets with experimentally measured solubility data, we can accurately predict the solubility of new drug candidates. Our algorithms are continuously validated and improved to ensure high accuracy and reliability.
To provide drug solubility predictions, we require the following information and materials:
| Deliverables | Descriptions |
| Chemical Structure | Provide the 2D/3D structure or SMILES representation of the drug compound(s) of interest. |
| Physicochemical Properties | If available, provide any relevant physicochemical properties like molecular weight, logP, hydrogen-bonding donors/acceptors, etc. |
| Experimental Data | If any experimental solubility data is available, please provide it for comparison and model validation purposes. This data will further improve the accuracy of our predictions. |
| Deliverables | Descriptions |
| Solubility Reports | Detailed reports presenting the predicted solubility profiles of the drug compound(s) in various solvents, along with a comprehensive analysis of the contributing factors. |
| Solvent Selection Recommendations | Suggestions for suitable solvents based on the predicted solubility profiles, taking into account considerations such as safety, stability, and cost-effectiveness. |
| Formulation Optimization Strategies | Customized recommendations for formulation strategies to enhance drug solubility, improve bioavailability, and increase the chances of success in preclinical and clinical trials. |
CD ComputaBio is dedicated to providing high-quality drug solubility prediction services using advanced computational techniques. Our expertise in computer-aided drug design and in-depth understanding of solubility-related factors enable us to assist pharmaceutical companies and researchers in making informed decisions during the early stages of drug discovery and development.