Innovative software for difficult problems: chemical text-mining, ELN analysis, reaction naming, biological structure perception, and more!
Cambridge UK
Joined September 2013
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Pistachio 2023Q4 is out with 19.17M reactions (6.1M unique). An increase of 3M+ reactions is due to improvements in the reaction extraction tools.
- Python module to read/write the Pistachio JSON
- New Atmosphere Role
nextmovesoftware.com/pistach…
#chemistry #reactions
Pistachio 2023Q3 is now available:
- 16M+ reactions extracted from patents
- 12.4M+ recognised by NameRxn with 2,200+ classes
- Select/download results as SMILES or RDfile
- Improved support for loading in-house/CRO reactions
- Quality indication/flag
nextmovesoftware.com/pistach…
Talk: "John Mayfield: Managing and Searching One Trillion Compounds" presented at UCSF DOCK Meeting. #cheminformatics #Arthor #SmallWorld
nextmovesoftware.com/talks/M…
Roger's slides from his #shef2023 talk are now available on our website: nextmovesoftware.com/talks.h…
Roger is presenting last thing tomorrow on advances in Arthor's speed. Here is a teaser with the side-by-side before/after of the Similarity Search on Zinc22 (35 billion):
youtube.com/watch?v=PtKkS6OX…
#shef2023
Ingvar is also presenting a poster on Tautomer standardisation, Poster 12: nextmovesoftware.com/posters…
#shef2023
Come see Poster 14: Sketchy Sketches II:
Advances in extracting reaction information. PDF: nextmovesoftware.com/posters…
#shef2023
John's (remote) talk on the Inorganic Stereochemistry Ecosystem is available here: nextmovesoftware.com/talks.h…
First day of our InChI Workshop on Inorganic Stereochemistry finished...so many great talks....thank you to all contributors!
@InChI_Trust @VolkswagenSt @NFDI4Chem @BioInorgChem_UW @PeONor @nmsoftware @ACDLabs #FAIRdata #chemoinformatics
