Special Offers & Promotions



Latest News



View Channel

New Products



View Channel

Video Presentations



View Channel

Separation Science



View Channel

Microscopy & Image Analysis



View Channel

Laboratory Automation & IT Solutions



View Channel


Cresset release of PickR

publication date: Jun 17, 2019
author/source: Cresset

Medoids of the largest 10 clusters from running PickR on 5,500 boronic acids

A New Solution for Selection of Diverse R-Groups for Library Design and Better Intellectual Property

Cresset, innovative provider of outstanding software for molecule discovery and design, announces the release of PickR™ V1.0. PickR is a new solution that enables computational chemists to cluster and select reagents for inclusion in hit-finding and hit-to-lead libraries, generating better intellectual property.

“Unlike existing methods, PickR uses 3D electrostatic and shape properties to select diverse reagents,” says Dr Tim Cheeseright, Director of Products at Cresset. “Using PickR gives results that includes both expected and unexpected relationships including those that are poorly described using traditional methods. 3D properties are particularly useful when comparing small highly functionalized rings which form many of the common reagents in modern library design.”

“This command line application is both powerful and easy to use and generates logical associations between molecules that fit well with the expectations of both medicinal and computational chemists,” continued Dr Cheeseright.


more about PickR

more news from cresset

If you have not logged into the website then please enter your details below.


Subscribe to any of our newsletters for the latest on new laboratory products, industry news, case studies and much more!

Newsletters from Lab Bulletin


Request your free copies HERE




Popular this Month

Top 10 most popular articles this month



Today's Picks



Looking for a Supplier?

Search by company or by product


Company Name:






Please note Lab Bulletin does not sell, supply any of the products featured on this website. If you have an enquiry, please use the contact form below the article or company profile and we will send your request to the supplier so that they can contact you directly.

Lab Bulletin is published by newleaf marketing communications ltd.


Media Partners


Exhibitions & Events