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publication

Labiotech publishes article about spaces
November 27, 2019, 11:11

Labiotech wrote a really nice article about our chemical spaces and how out tools combine visualization, ease of use, and speed. You can read the article on their website.

pressrelease

Collaboration extension
November 20, 2019, 15:11

Optibrium, Enamine and BioSolveIT start a collaboration to add REAL Space search to StarDrop. This extension to StarDrop is powered by BioSolveIT’s proprietary Feature Trees (FTrees) technology, to search a chemical space of over 11 billion readily accessible compounds and identify novel compounds that are similar to a query structure of interest. The resulting molecules can be ordered at Enamine. Read the full press release here.

software

Updates: FTrees 6, CoLibri 6, RSN3.1, infiniSee 1.3 and KNIME 2.14
November 13, 2019, 11:11

With the latest update FTrees is fully parallelized and searches spaces now even faster. So, we improved the memory handling of CoLibri as well to create even bigger spaces. This has many applications, like capturing the whole IP of your company, or finding out which DNA-encoded library would be best to screen. Of course, all updates were incorporated in the easy-to-use interface of infiniSee.

pressrelease

REAL Space now online searchable
October 22, 2019, 17:10

BioSolveIT and Chemspace proudly present: the first online search & order of the REAL Space. Search in 11 billion compounds online on the Chemspace website. Of course you can still do the search locally using the REAL Space Navigator or infiniSee.

pressrelease

Launch of GalaXi
October 10, 2019, 17:10

In close collaboration with WuXi LabNetwork we created a novel chemical space ready for you to download and search. The first version of this new chemical space approaches 2 billion tangible molecules — 1,686,371,588 to be exact. GalaXi has been shaped from WuXi LabNetwork’s building blocks and reaction schemes that have been properly checked to deliver high quality results. Find out more in the press release or download GalaXi to search it with infiniSee.

publication

new publication: „Comparison of Large Chemical Spaces“
September 17, 2019, 14:09

How do you find out the overlap between vast chemical spaces that are too big to apply classical methods? In this recent article a novel way to compare chemical spaces utilizing a panel of query compounds is described and applied to three different spaces, all bigger than 10 billion compounds. Get insight into their structural overlap, their coverage of the chemical universe, and their density from the article.

webinar

Webinar at Optibrium
September 09, 2019, 13:09

Our Principal Scientist Franca will be a guest speaker at the Optibrium webinar series. She will speak about „Chemical Space Navigation; Ultra-fast search of 11 billion compounds“ on Thursday, September 12, 2019 (4.00pm UK, 8.00am PST, 11.00am EST). Register for free here.

publication

„SAR by Space“ paper published
September 05, 2019, 17:09

Together with ChemSpace and Enamine we introduce SAR by Space, a concept to drastically accelerate structure-activity relationship (SAR) elucidation by synthesizing neighboring compounds that originate from vast chemical spaces. The paper is open access, so you can read it for free here.

software

a firework of releases: SeeSAR 9.2, CoLibri 4.3, FTrees 5.2, infiniSee 1.2, FlexX 4.1
August 15, 2019, 14:08

The last sprint before summer was really productive, so we can delight you with several updates. Here just a few highlights: SeeSAR can now export a pose-protein-complex together as an input for your MD simulation; CoLibri is able to process protection groups; infiniSee and FTrees have more functionalities to understand the similarities; FlexX allows you a rapid flexible docking as it is fully parallelised. Download the new versions and try! All our tools include a free 3 days trial license. After that period, you will be blocked from a new download for 7 days. But, of course, you can still request an evaluation license during that time.

challenge

Challenge winner publish paper and give webinar
June 05, 2019, 16:06

Our winners from the Summer2017 Scientific Challenge have the perfect timing: on Thursday, June 6, they will give a webinar about their project „computer‐assisted selective optimization of side‐activities ‐ from cinalukast to a PPARα modulator“. The respective paper was accepted on Monday. Congratulations Julius and Simone!
Register for their webinar, read the publication or meet them a the ASMC conference in Athens, when they redeem the travel grant they have won.

publication

“Next level in chemical space navigation” review
March 18, 2019, 14:03

Our new DDT review on chemical spaces is hot off the press. It is open access, so you can read it for free here. We are very proud to have contributed to some of the mentioned spaces.

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