Teasing you during the holiday season with the present of eHiTS Lightning
Yesterday I blogged about how excited we are about the latest version of eHiTS. The graph below is a teaser graph showing the difference observed in enrichment between eHiTS 6.2 and eHiTS Lightning.
The graph below communicates the enormous differences we are seeing between the two versions of eHiTS. The results are simply outstanding, especially at top2% of the DB, which is the most important part. The plots compare data taken from the paper entitled “Detailed Analysis of Scoring Functions for Virtual Screening” by Stahl and Rarey ( J. Med. Chem. 2001, 44, 1035-1042), executed with eHiTS 6.2 and eHiTS Lightning in accuracy 1 mode. We have used the data contained in this manuscript for a number of years to map our progress version to version. This is the largest jump we’ve seen AND we acknowledge that it took two years to get here. But, all good things to those who wait. The analysis of these data will be discussed in detail in a Case Study document that will be assembled during the holiday season. It is one of MANY such case studies. We will show over the next few weeks how eHiTS performs relative to other tools in the marketplace and make similar historical comparisons of performance. What is coming next? We have a lot more areas we know can tweak out even further improved performance in terms of speed, enrichment and pose accuracy.
