Macs in Chemistry

Insanely Great Science

KNIME Updated


KNIME Analytics Platform 3.4 is out

  • New Date & Time integration
  • Integration with the H2O machine learning library
  • KNIME Personal Productivity now part of KNIME Analytics Platform
  • Wrapped metanode composite view
  • A new version of the Python integration
  • Logistic Regression nodes are more scalable, faster, and support regularization
  • Audio and speech recognition nodes
  • JavaScript Views
  • New Cloud Connectors


Dotmatics Reaction Workflows


Workflow tools have become increasingly popular Pipeline Pilot, Knime and Taverna and perhaps the best known. Most are desktop client based but some have a web page that allow users to run protocols that expert users have created.

Dotmatics Reaction Workflows (RW) is a web-based tool that allow users to build workflows from nodes that provide inputs and outputs or perform actions, including ones to perform reaction-, scaffold-, and transform-based enumeration, and it is all done within a web browser interface using drag and drop. I've been looking at reaction workflow for enumerating a potential library array.

Read more here….