Synthetic and Medicinal Chemistry ELN

Plan Reactions, Record Conditions and Search Your Experimental Data

Thermo Scientific™ Core ELN™ software enables medicinal and synthetic chemists to plan reactions, record conditions and search their experimental data. Chemistry-specific tools assist in stoichiometric calculations, reaction and structure drawing, task assignment, compound registration and chemically intelligent searching.

Users can automatically calculate properties of compounds, search for precursor and successor reactions and analyze existing data to optimize yield, purity or any other experimental data of choice. Core ELN software has full support for exact, substructure and similarity searching for molecules and reactions, as well as search by text or numerical data, enabling you to reach your conclusions and generate hypotheses more efficiently.

The extensible nature of Core ELN software means that you can automatically retrieve test results such as activity and IC50s, see tests run on your compounds and automatically predict physicochemical properties of compounds for optimization. Analytical data can also be embedded directly in your experiments along with Microsoft® Office documents, protein data files and any other data you require by using configuration rather than lengthy and expensive customization.

Record, Find, Report, Reuse, and Share Experiments

Core ELN improves operational efficiencies and lowers costs by enabling synthetic and medicinal chemists to collaborate effectively with analytical chemists and biologists using a single notebook enterprise-wide in regulated and non-regulated environments. It is a flexible, enterprise Electronic Laboratory Notebook (ELN) that accelerates the design and execution of synthesis experiments by offering proven chemical representation, molecule/reaction searching, and compound registration capabilities with integrated material and property look-up.

Core ELN offers capabilities for handling text, data, and forms required to plan, record, analyze, and report synthesis plans—including capturing reaction transformation details and handling single- and multi-step, linear and convergent reaction schemes. Advanced security and workflow tools make Core ELN ideal for third-party and outsourced R&D integration.

Supporting Synthetic Chemistry Workflows

Core ELN is uniquely designed to be used out-of-the-box across multiple scientific disciplines including synthetic chemistry, analytical chemistry and biology; from discovery through manufacturing.

  • Quickly develop new synthetic methodologies and workflows

  • Store reactions with all reaction transformation and mapping information

  • Search for specific transformations over in-house Notebook reactions and up to 6 million commercially available reactions and methodologies provided by Core ELN

  • Accelerate stoichiometry calculations with easy look-ups of key properties like molecular formula, molecular weight, density, purity, etc. in Core ELN ACD

  • Use the Core ELN Registration service to register purchased or synthesized compounds

  • Learn from other researchers’ experiments and reuse information

Key Benefits

  • Capture all synthesis knowledge
  • Re-use information to improve results
  • Improve synthetic workflows and collaboration
  • Access commercial synthesis and sourcing information
  • Register compounds from within workflows

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