The Dotmatics Blog

Dotmatics Blog

 

Principles of Computing – Big Data Challenges

Tom Oldfield | Wednesday, December 5, 2018
It was previously discussed in blog articles that Vortex has Zero-order graphics whose measurable performance was approaching zero order as a…

Hypothesis Based vs. Discovery Driven Analytics

Tom Oldfield | Tuesday, November 20, 2018
There is often much confusion between hypothesis and discovery driven problem-solving methods.  The whole of science is built on the idea that we…

What is computer programming?

Tom Oldfield | Monday, November 5, 2018
There was an interesting analogy that compared the art of computer programming with carpentry which highlights the problem many people make when…

Nobel Prizes Recognize Discoveries Central to Biologics Drug Discovery

Andrew LeBeau | Monday, October 15, 2018
It’s Nobel Prize season and it’s notable that two of the prizes awarded have direct ties to biologics drug discovery. On October 1st, the 2018 Nobel…

Vortex Development Cycles

Tom Oldfield | Tuesday, October 9, 2018
Vortex is the desktop/web-start software for high performance graphical analysis that is designed for the chemical and life-science community.  It…

Substructure Searching – H-Count and Topology

Jameed Hussain | Monday, October 1, 2018
Substructure searching is a powerful tool when it comes to searching for small molecule analogues that fit the SAR requirements for a given…

Dealing with Tautomers when Searching for Compounds

Jameed Hussain | Tuesday, September 11, 2018
A common operation that needs to be performed in the chemical industry is compound searching. We are all familiar with searching for things on the…

High Performance Graphics — Zero Order Algorithms

Tom Oldfield | Friday, August 24, 2018
Computational software design has the goal of designing algorithms that approach 1st order, that is where the time of calculation is directly…

What is a Scientifically Aware Program?

Tom Oldfield | Tuesday, August 7, 2018
Vortex and other Dotmatics software is often described as scientifically aware – but what does this really mean in practice to the user.  Let’s…