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May 1, 2008: Version 4.2 of the Molecule Evoluator is now available ! |
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The latest update (2008) of the Molecule Evoluator is version 4.2, and certainly is an enhancement of versions 4.0 and 4.1. There is even more control now regarding the mutation steps introduced to the molecules. Secondly, as requested by a number of users phosphorous (P) as an atom to be mutated was included. Again, the new upgrade is available as a trial version. So, why not see for yourself? The 2006 release 4.0 of Molecule EvoluatorTM provides major additions such as - Automatic optimization of molecules
- Fixation of subgroups
- Calculation of various physicochemical properties, including solubility
- Fragment-based in addition to atom-based evolution
- Sorting functions
Moreover, the new version has a redesigned user interface, giving you a very intuitive way to work with it to generate new molecules.
Current pricing of the Molecule Evoluator: - Single annual license fee: 4,950 € (~ 7000 US$)
- To receive more information: Click here.
Pricing of the Molecule Commander is dependent on the environment it is used in. Contact us for all modalities of the two software packages (updates, support, academic fees). |
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News Coverage |
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Some time ago the Molecule Evoluator was very favorably reviewed in the Journal of the American Chemical Society. In it Jeff Zablocki of CV Therapeutics in Palo Alto, CA, USA wrote among others: "I tried the Molecule Evoluator by starting with a competitor’s lead compound and generating five to eight libraries. In general, when using the program, I was able to obtain distinct, patentable compounds over 90% of the time. In another application, my co-workers and I wanted to obtain molecules that had a higher chance of penetrating the central nervous system and the blood brain barrier. By setting the PSA to below 90, the Molecule Evoluator provided structures of sufficient interest that they are going to be synthesized at a later date." The design of novel template molecules with the Molecule Evoluator was reported recently in the ACS Journal of Medicinal Chemistry. It is the first paper describing the application of our software to real-world medicinal chemistry, see Lameijer et al, J Med Chem 2007, 50, 1925-1932 Another paper, in the ACS Journal of Chemical Information and Modeling, details the background and principles of the Molecule Evoluator, see Lameijer et al, JCIM 2006, 46, 545-552
Further attention to the Molecule Evoluator was paid in another 2006 ACS publication: Chemical & Engineering News (October 23, 2006; Volume 84, Number 43). http://pubs.acs.org/emeta/AcsLogin?url=%2Fisubscribe%2Fjournals%2Fcen%2F84%2Fi43%2Fhtml%2F8443digital.html&mode=login (login required). |
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Conferences |
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The Molecule CommanderTM was successfully launched at the 8th International Conference on Chemical Structures, Noordwijkerhout, the Netherlands, June 1-4, 2008, and ELRIG Conference on Drug Discovery, Liverpool, England, September 7-8, 2009The Molecule EvoluatorTM has been introduced and will be presented at the following conferences: - ELRIG Conference on Drug Discovery, Liverpool, England, September 7-8, 2009
- 17th LACDR School on Medicinal Chemistry, Noordwijkerhout, the Netherlands, October 28-31, 2008
- 8th International Conference on Chemical Structures, Noordwijkerhout, the Netherlands, June 1-4, 2008
- 16th LACDR School on Medicinal Chemistry, Noordwijkerhout, the Netherlands, October 16-19, 2007
- ACS National Fall Meeting, Boston, August 19-23, 2007
- 15th LACDR School on Medicinal Chemistry, Noordwijkerhout, the Netherlands, October 26-29, 2006
- ACS National Fall Meeting, San Francisco, September 9-14, 2006
- 4th IIR conference on G protein-coupled receptors, Barcelona, May 22-25, 2006
- BIO2006, Chicago, April 9-12, 2006
- 14th LACDR School on Medicinal Chemistry, Noordwijkerhout, the Netherlands, October 25-28, 2005
- ACS National meeting, Washington, DC, USA, August 29 - September 1, 2005
- 7th International Conference on Chemical Structures, Noordwijkerhout, the Netherlands, June 5-9, 2005
- 15th Noordwijkerhout-Camerino Symposium on Medicinal Chemistry, Noordwijkerhout, the Netherlands, May 8-13, 2005
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