@nmsoftware

Innovative software for difficult problems: chemical text-mining, ELN analysis, reaction naming, biological structure perception, and more!

 Cambridge UK
nextmovesoftware.com
Joined September 2013
  • Tweets308
  • Following15
  • Followers1.1K
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NextMove Software retweeted
John Mayfield@jwmay12 Oct 2022
Here are the slides for my RDKit UGM 2022 talk (currently presenting): nextmovesoftware.com/talks/M…
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A new version of ZINC, ZINC20, is published in JCIM. pubs.acs.org/doi/10.1021/acs… The new version features access to more molecules and new tools to search for analogs. As always, ZINC is free to everyone.

ZINC20─A Free Ultralarge-Scale Chemical Database for Ligand Discovery

Abstract. Identifying and purchasing new small molecules to test in biological assays are enabling for ligand discovery, but as purchasable chemical space

pubs.acs.org
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NextMove Software retweeted
John Mayfield@jwmay21 Jan 2020
The latest member of the @nmsoftware team
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NextMove Software retweeted
Dial-a-Molecule@DialaMolecule17 Jan 2020
If you're thinking of coming along to AI for Reaction Outcome and Synthetic Route Prediction, now is the time to stop thinking and start registering! Registrations close 27th Jan. generic.wordpress.soton.ac.u… @DialaMolecule @DirAssembly @AISciNet @RSC_CICAG @UK_ASF
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NextMove Software retweeted
John Mayfield@jwmay18 Nov 2019
Pistachio 2019-11-18 released (reaction search system and data) 1. 9.11 million reactions 2. 1,003 NameRxn classes (6.08 M named) 3. Improved front-end UI auto-populating derived data 4. Re-extract back catalog For more info, see nextmovesoftware.com/pistach…
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Here's my ACS talk on "Measuring R group similarity using medicinal chemistry data": nextmovesoftware.com/talks/O… #CINF #ACSCINF #ACSSanDiego
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Replying to @DrBostrom
@DrBostrom describes matched molecular series implemented in Matsy (nextmovesoftware.com/matsy.h…) #ACSSanDiego #cheminformatics
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Here's my ACS talk on hashing molecules, "Making a hash of it: The advantage of selectively leaving out structural information" nextmovesoftware.com/talks/O… #CINF #ACSCINF #ACSSanDiego
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NextMove Software retweeted
Christopher Southan@cdsouthan23 Jul 2019
Methinks another beer now owed @nmsoftware bpspubs.onlinelibrary.wiley.…
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NextMove Software retweeted
Jonas Boström@DrBostrom17 Jun 2019
Derren Green GSK praising a tool called Matsy! 😊👍 @baoilleach @nmsoftware
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We now use Smallworld from @nmsoftware for analog and substructure queries. Step 1. get something working. DONE. Step 2. make better use of the fabulous options offered by Smallworld. More to follow soon. Any remaining problems with similarity searching are mine and not SW.
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NextMove Software retweeted
Wendy Anne Warr@WendyAnneWarr10 Feb 2019
Replying to @nmsoftware
@nmsoftware @OpenEyeSoftware Some NextMove and OpenEye excerpts just for you👍
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NextMove Software retweeted
Christopher Southan@cdsouthan22 Dec 2018
Replying to @cdsouthan @GuidetoPHARM @BritPharmSoc
The peptide curation slide set (including a @nmsoftware beer-worthy mention) was an oral presentatione slideshare.net/cdsouthan/pep…
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Most of the work would not have been possible without @RDKit_org, @dr_greg_landrum, @nmsoftware and @dan2097. Many thanks!
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NextMove Software retweeted
RSC_CICAG@RSC_CICAG19 Sep 2018
Roger’s face (@nmsoftware) when the multi-arm bandits appeared was a joyous picture! #RDKitUGM2018
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#ACSCINF A year ago, we saw a poster about @nmsoftware and started a dialog. They showed us the Arthor search engine. We were surprised, excited at the results, astonishing, really really fast. We decided to use this for ChemSpace.
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NextMove Software retweeted
Nathan Brown@nathanbroon15 Jun 2018
Up now is Darren Green talking about AI, automation and people. #RSC_AIChem cc @nmsoftware @baoilleach
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NextMove Software retweeted
ICCS@intconfchemstr11 Jan 2018
We are glad that @nmsoftware is joining our exhibition and will support the #11thiccs as a silver sponsor. Thanks a lot. int-conf-chem-structures.org…
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NextMove Software retweeted
MedChemica@MedChemica12 Oct 2017
Slides from Ed's talk at #scibigdata on the use of Big Data in chemistry slideshare.net/EdGriffen1/sc…?
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NextMove Software retweeted
Nathan Brown@nathanbroon21 Sep 2017
Roger from @nmsoftware on ‘Recent Improvements to the RDKit’, a title gifted by @dr_greg_landrum #RDKitUGM2017
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