Monday, December 9, 2013

New features and new pricing

We are after a very interesting development period with several interesting features and changes, so here is what's new on Mcule:


1. New navigation menu

We revised our menu to make it more straightforward. Now we have grouped things as follows:

  • Hit Identification (things for virtual screening and library design - primarily based on Workflow Builder including pre-populated workflow templates, plus the Database Download page)
  • Lead Optimization (these are the popular 1-Click Applications for quick validation of chemistry ideas by docking, property profiling and toxicity checking plus the scaffold hop idea generator)
  • Find Chemicals (basic searching options for a single or multiple queries)
  • Collections (you know this one already - you can find all your search results here)
  • Instant Quotes (this one is new, see more below).

2. Instant quote

This is going to be a killer feature for compound procurement managers and it does what it says: Instant Quote generates price and delivery time quotes on-the-fly for a set of compounds. We have a nice brochure on this, and a more detailed blog post is coming soon on this feature. But here is a few words because we are really psyched about it:

You can make a compound selection by using some of the basic searching tools (Find Chemicals) or run e.g. a virtual screen, click on Quote, fill out a short quote form, and Instant Quote will generate a quote on-the-fly. And this is great! Here is why: we check the availability of all potential products that can be included in your quote on-the-fly (we have live and batch stock availability handlers for most of our suppliers). Plus (and this is the big deal) we solve a serious combinatorial problem of matching particular products to each of your selected compounds. This is not trivial, just think of 10 compounds, and 5 potential suppliers for each of them: that's 5 x 5 x 5 x 5 x 5 x 5 x 5 x 5 x 5 x 5 potential quotes, and our algorithm finds the ones with the best price and fastest delivery. And it works for even thousands of compounds. More on this soon...

3. 1-Click Application history (Lead Optimization)

We realized that 1-Click Docking and 1-Click Scaffold Hop are among your favorite tools. It is really easy to run these calculations and you get the results in a few seconds. However, in some cases it makes sense to see and compare multiple results and you might want to go back to one of your previous calculation. Now you can do that by clicking on the See history link at the top of 1-Click Docking and 1-Click Scaffold Hop.


We've got feedback that the previous pricing plans were too complicated, so we made them simple. We have put together three packages:


This is primarily meant for procurement managers and for those who frequently orders compounds and would like to optimize the costs (it contains Instant Quote). Plus, it is a great starter kit for modeling.


This package offers a reasonable package for small-, and medium-sized companies and academic research groups containing all the major features with very reasonable limits that enables to run several projects in parallel.


This is an enterprise solution: full feature set with a practically infinitive computational capacity. To see the full comparison, check out the Pricing page.

We still offer the Free package for those who want to test out our system. It has to be mentioned that docking target upload is now only available for subscribed users, but you can still use what you have already uploaded. On the plus side, we provide some 1-Click Application history for the free users as well.

If you want, you can request a 7-day trial including all major features.

I hope you will find the new features and packages attractive. But if you need something customized, you can always tell us, you know that. Contact us, and we will try to find the best solution for you.

Cheers from:
The Mcule team

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