This feature is included in the Enterprise package (it is not included in the Mbook Chemistry or Pro packages).
Mbook Verify is a new developing approach to structure verification via NMR and MS.
The pharmaceutical and biotechnology industries are currently facing very significant challenges that are resulting in major organizational and operational changes. The current trend is for pharmaceutical companies to outsource many of their Research and Development operations to third parties with specific specialties and areas of expertise in order to focus their own resources on areas where they are in a position to maximize value.
As a result, where many operations such as data mining, information sharing, and decisions about the chemical entities used to have to be carried out at an internal company level, these same functions now need to encompass the entirety of the supply chain and all partners involved in the company´s R&D efforts. In addition, it is desirable to standardize data formats and data handling to the greatest extent possible to keep tight control over quality, particularly when compounds are being transferred between organizations and to optimize the sharing of information to maximize productivity.
A further challenge that affects, among others, the analytical data domain, is the reduction in the resourcing of internal support teams. In the case of analytical data, this means that whilst progress in hardware capabilities and huge steps forward in automation allow us to generate vast amounts of analytical data with high throughputs, a bottleneck is being created by the ability of Analytical Departments to get eyes on data. In this situation, overseeing the data and proposed chemical structures proposed by partners outside the organization, and typically received in large numbers, is also becoming more difficult, and indeed in most cases has been abandoned as an achievable objective.
Mbook Verify evaluates a series of elements (GSD, solvent recognition, novel similarity measure, multiplets, and chemical shift predictions) and applies a scoring system to return a Yes/No/I don´t know answer. This makes it a very powerful screening system that is useful to chemists who need to validate decisions regarding the structure corresponding to their experiments, either in single or batch mode.
