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Introducing Chemistry Module

E-WorkBook Chemistry provides a simple and intuitive interface that supports the comprehensive workflows of organic chemistry synthesis and provides industry-leading technology for molecular representation and reaction indexing.

Throughout the design process we have sought independent guidance and input from top R&D organizations, to keep us on track in delivering a desirable product chemists want to use.

The chemical landscape is broad and encompasses many diverse industries across petrochemicals, industrial chemicals, FMCG, pharmaceutical and agrochemicals.

Chemists in each of these domains may have different requirements and E-WorkBook Chemistry supports the demands for each market vertical.

Chemistry

Technical Description

E-WorkBook Chemistry helps you design your experimental reactions quickly, look up reagents from local and online inventory sources, record the Health & Safety of the reagents and risks of the reaction, together with your procedure and observations, and register your molecule using standardized interfaces.

Our strategic partnerships provide access to world leading representation of chemical and biological molecules, naming, property prediction, compliance checking, molecule standardization and more.

You can reduce the barriers to user adoption by giving your chemists access to an intelligent software solution that is easily integrated to your research IT environment.

The future of laboratory informatics is simplicity. We recognize that the modern, integrated R&D environment requires transfer of data to and from corporate inventory and, registration systems, which is why we developed standardized interfaces for the end user with robust APIs on the back end.

Performance is key, and the advantage of building from scratch is that we can make use of new technology that is optimized for performance. Integrations to other third-party tools are important e.g. for analytical spectral rendering and it’s a key part of the experimental report.

Many researchers also make use of external collaborators, and we’re integrating E-WorkBook Chemistry with E-WorkBook Connect to promote innovation by creating a secure mechanism for data transfer between your partners and to retain intellectual capital.

Key Features

  • Support for external structure editors such as BioviaDraw, MarvinSketch and ChemDraw.
  • Ability to enter single molecules or reactions into an experiment, with a comprehensive stoichiometry engine.
  • Calculate the required quantities of reagents, using equivalents based on mass, volume, density or concentration.
  • Retrospectively calculate the quantities of reactants required based on the desired quantity and expected yield of the product.
  • Change the behavior of the engine to reflect actual additions of reagents, or where additional quantities of reagents are required.
  • Easily add new components to a reaction scheme, by querying inventory sources by text or exact/substructure.
  • Out-of-the-box integration to online web sources e.g. ChemSpider, flat files (*.CSV/*.SDF) or chemically indexed Oracle tables e.g. ChemACX Rapid write-up of the experimental procedure, using keyboard shortcuts to reaction components and pre-defined phrases.
  • Registration of the compound to a ChemAxon, or Perkin Elmer service perform parallel synthesis, and enumerate individual experiments.