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

Arthor Release 3.6 - efficient chemical search Key features: - Multipart indexes, theoretical scaling to a trillion molecules - Automatic index sharding - Faster FP index generation, ~1B per minute Multipar index demo: youtube.com/watch?v=brxp1x2N… More info: nextmovesoftware.com/arthor

The NextMove Software bandits in Lego

Demonstration of Similarity searching 35 billion molecules using Arthor Round Table (distributed search). Currently clocks in around ~13.3B FP/s. youtube.com/watch?v=brxp1x2N… More details on Arthor: nextmovesoftware.com/arthor

Pistachio 2022Q4 Release: - 15+ million reaction details (4.75M unique) - 11.5 million named reactions (NameRxn) - Update storage backend to PostgreSQL v15 nextmovesoftware.com/pistach…

Arthor v3.5 - efficient structure search tools + Different similarity measures + Improved indexing speed + cis/trans query expressions: "C/C=C\,/C" + PostgreSQL 14/15 support + much more More info: nextmovesoftware.com/arthor

Pistachio v2022Q4 is now available: - 14.79M reactions extracted from patents - 11.29M recognised by NameRxn with 2,000+ classes