The Dotmatics Blog

Dotmatics Blog

 

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…