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Publications & Presentations


Closing the Loop Between Synthesis and Design

Monday, 21 March 2016 15:46
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Tamsin Mansley

Tamsin Mansley gave this presentation at the ACS Spring National Meeting & Exposition held in San Diego, USA on 13th March 2016.

Abstract

Chemists frequently draw upon their experience and chemical intuition to make sense of complex project data and select new compounds to synthesize. However, drug discovery projects increasingly demand greater efficiencies with shorter timelines and lower costs, putting medicinal chemists under pressure. Additionally, the traditional divide between computational modellers and synthetic chemists is no longer clear and software must be easily accessible across disciplines; project teams need to quickly understand and predict structure-activity relationships (SAR), identify potential liabilities and design new compounds with the highest chance of success.

Synthesis to Design

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Avoiding Missed Opportunities by Analysing the Sensitivity of our Decisions

Thursday, 24 December 2015 13:06
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Matt Segall

We've just submitted this article that describes how we can consider the impact of the compound selection criteria we choose on the decisions we make. Identifying sensitive criteria can highlight new avenues for exploration and potential missed opportunities.

Assessing the sensitivity of a criterion in a property profile

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Latest Forums


Optibrium announce collaboration with The Edge

Tuesday, 20 September 2016 01:59

Optibrium and The Edge are pleased to announce a collaboration to provide an integrated solution linking the StarDrop and BioRails platforms. The combination provides a seamless drug discovery workflow linking the latest research data directly from the lab through to decision making regarding the next round of synthesis and testing, reducing the time and cost to identify new optimisation strategies...


Category: Optibrium News & Announcements
Views: 35

Webinar: 3D Molecular Design in Torch

Tuesday, 20 September 2016 01:55

Join our webinar on September 29th to hear Dr Tim Cheesright from Cresset who will describe how Torch enables medicinal chemists to understand the electrostatic properties of their compounds. For more details and registration visit here.


Category: Optibrium News & Announcements
Views: 31

Optibrium announce the release of StarDrop 6.3

Tuesday, 28 June 2016 00:43

We are very pleased to announce the release of StarDrop 6.3. The latest release adds the new SeeSAR module for 3D structure based design, an enhanced substructure search tool, upgrade to Card View and updates for the Derek Nexus and BIOSTER modules. For more information visit here.


Category: StarDrop
Views: 554

Popular Downloads


eMolecules

Wednesday, 07 September 2016 00:00

This script enables you to search the commercial compound vendor lists aggregated by eMolecules. This allows searching of compounds from multiple suppliers and returns details about the available compounds.

The installer file and instructions for how to install and use the script are provided in the following pages...

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Latest Forums

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Popular Downloads

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