Drug Discovery Solutions

Our Drug Discovery solutions include...

Fragment-based Lead Discovery

ACD/Labs customized knowledge management solutions capture and store the large amount of data acquired during fragment-based lead discovery, allowing the information to be leveraged in future projects.

Impurity Management

Establish effective process and analytical impurity control strategies based on live spectral data and route knowledge, in a purpose-built environment.

In-Silico Screening

Quickly evaluate a set of compounds for the desired characteristics and molecular properties, and focus synthesis efforts on safer, less toxic compounds with PhysChem, ADME, and Toxicity-based screening solutions.

Lead Optimization in Drug Discovery

Explore new compound candidates by generating analogues based on desired PhysChem, ADME, and Toxicity properties.

Metabolite Identification

Automatically generate and share biotransformation mapsówith connected spectra, chromatograms, and structuresófrom LC/MS data analysis.

Natural Products Research

ACD/Labs provides efficient elucidation of new structures, and dereplication of known compounds, essential but time-consuming tasks in natural products research.

Nomenclature for Patent Submission and Control

Make identification of compounds easier with fast and accurate naming of structures. Used by scientific journals, patent agents, and scientists worldwide, ACD/Labs' chemical nomenclature covers the largest variety of structures, in several languages following IUPAC and CAS-type index rules.