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ACD/Labs Blog

Sherry Myles
Scientists’ ability to detect drug-related metabolites at trace concentrations has improved over recent decades. Various cheminformatics tools have been developed to address these metabolite identification challenges. This article describes the current state of these tools, and presents a description of pre-experimental and post-experimental metabolite structure generation using MetaSense.

Joel Michalski
The knowledge generated in metabolite identification studies can provide valuable insights for intelligent drug design, and the maximum value from these studies can be harvested only if the data are stored and easily accessible within the organization. Similarly, synthetic reactions, forced degradation/stability studies, impurity identification, structural characterization, environmental stability studies and many other activities generate...

Joel Michalski
Current deformulation scientists face MASSive exSPECtations—they are required to detect, screen, and identify unknowns with increasing efficiency despite shrinking analytical group sizes, pressure to perform more diverse activities, increased outsourcing of work, and slow, tedious, and error-prone methods. As a result analysts are left with much less time to devote to complex deformulation projects, while...

Joel Michalski
Current metabolite identification (MetID) scientists face MASSive exSPECtations—they are required to detect and identify metabolites with increasing efficiency despite shrinking analytical group sizes, pressure to perform more diverse activities, increased outsourcing of work, and slow, tedious, and error-prone methods. As a result analysts are left with much less time to devote to complex MetID projects,...

Joel Michalski
This webinar highlights how the MetID reporting processes can be streamlined for reaching short and long-term goals with an easy and interactive solution.

Joel Michalski
Identify more metabolites, save time with your data mining and collating spectra, search through old studies, and much more. Learn how MetaSense helps you to accomplish all of this in our webinar.

Joel Michalski
As part of the drug discovery and development process, it is important to understand the human metabolism of a candidate drug prior to clinical studies. Pre-clinical in vitro and in vivo experiments across species are conducted to build knowledge concerning human circulating metabolites in preparation for clinical studies and therefore, the quality of these experiments...