Preformulation

Obtaining an appropriate dosage form is an involved process where preformulation scientists try to simultaneously optimize various factors such as solubility, degree of crystallinity, hygroscopy, and solid state stability - among other criteria. This optimization is based on the planned management and use of large quantities of analytical data, which can be greatly facilitated by the use of proper software.

ACD/Labs chemistry software automates the import of data from diverse sources and manages it in a way that accelerates single to high-throughput screening and selection of drug formulations by up to 80% for the pharmaceutical industry.

Save Time by Making Accurate Predictions

Fail poor formulation strategies early, rapidly, and correctly by using the insight provided by predictions, and use the knowledge gained to design more efficient experiments for more promising cases.

With the click of a button, you can predict ionization constants, solubility, and partition coefficients as a function of pH for the active pharmaceutical ingredient (API), saving you hours or even days of unnecessary preformulation experiments.

To download an in-depth application note, click here.

Accurate Physicochemical Properties:

Solubility, logP, pK_a, and logD are predicted in seconds for organic structures, which can save you several hours of work. To learn more, click here.

Accelerate Drug Preformulation Screening and Selection

The preformulation process calls for data interpretation across disparate sources, as well as processing, visualization, knowledge management, and archiving. Facilitate the management and interpretation of this information by automatically uniting raw data from different sources, using our automatic importation and archiving capabilities.

Click here to review schema and obtain details on how 20 to 80% time savings can be achieved in the salt and polymorph selection process.

Automation of Tedious Tasks:

Unite raw preformulation data from different sources and archive results automatically.

• Hands-free importing of instrument data
• Autoprocessing using Macros
• Auto-archiving of Results

To learn more about ACD/Labs software automation solutions, click here.

Acceleration of Selection and Screening Interpretation:

Use a single interface designed to handle high-throughput data, and selectively redisplay it to facilitate decision-making. Intimately connecting different forms of preformulation data, such as spectra, images, curves, structures, and text, can be easy. Create a common knowledge repository for the preformulation department on a local or global scale using fully integrated desktop, network, or intranet deployment options.

• Direct processing with expert algorithms and chemometric tools
• High-throughput to single experiment knowledge management and visualization
• Spectral library searching and matching
• Centralized communication
• Custom reporting

To learn more about data storage, dissemination, and communication, click here.
To learn more about analytical data integration and processing, click here.
To learn more about library matching, click here.
To learn more about reporting, click here.