Solutions for the Pharmaceutical Industry

Applying QbD to Chromatography for Pharma

Using a QbD approach in chromatographic method development builds robustness into a reliable method that can be carried forward, eliminating the costs and delays associated with re-developing and re-validating unreliable methods.

Automated Compound Recognition

Ensure library integrity with automated assessment of compound purity, and compound recognition using LC/MS, UV, and other available analytical information in our vendor-neutral analytical software.

Automated Structure Verification Using NMR

Automate the process of assessing the fit between proposed structure and experimental data, so that only ambiguous or inconsistent structures have to be evaluated manually.

Biotransformations & Metabolite ID Knowledge Management

Capture all the data around metabolite identification research with our 'Biotransformation ELN' and build a knowledgebase to share with colleagues in your laboratory and throughout your organization. Easily create biotransformation maps (with Markush structures) and link all the relevant information, including live analytical data, to individual metabolites.

Decision-Support for Preformulation Studies

Bring together all your spectra, chromatograms, images, meta data, structures, crystallization conditions, and more, from high throughput instruments, thermal analyses, Raman, IR, XRPD, and other experimental information, into a single environment.

Efficient Chromatographic Method Screening

Quickly identify suitable chromatographic methods or find good starting points for your separation. Automate data collection and target method screens using structure-based queries to find appropriate columns, mobile phase solvents and buffers, and conditions.

Impurity Identification

Use our software tools for multiple analytical techniques to accelerate impurity profiling, and easily create a knowledgebase of analytical and chemical information.

Lead Optimization and Compound Profiling

Use ACD/Labs physicochemical property and ADMET predictors to gain a better understanding of the structures you are working with, or hope to synthesize; and investigate structural optimization based on specific property end-points.

Nomenclature for Patent Submission and Control

For the IP arena ACD/Labs provides a chemical nomenclature package that is focused on providing non-ambiguous and accurate names. The most challenging areas of nomenclature are covered, with name-to-structure capabilities and other tools to aid prior art searches.

Rapid Method Selection for Chiral Purification by Chromatography

Reduce screening time and generate a knowledgebase of separations to speed up the process of compound purification.

Structure Verification with NMR Predictors

Quickly verify the consistency of a proposed structure with your experimental spectral data, and reduce the burden routine interpretation.

Tools for REACH Compliance

ACD/Labs' REACH software package is a solution to facilitate your REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) submission process without the need for labor-intensive laboratory experiments.