SAVI Space—combinatorial encoding of the billion-size synthetically accessible virtual inventory

Abstract The Synthetically Accessible Virtual Inventory (SAVI) comprises a huge molecule collection. LHASA transform rules, originally intended for retro-synthetic analysis, were applied to Enamine Building Blocks in a forward synthetic manner. Adding new transforms, expressly developed for SAVI, re...

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Bibliographic Details
Main Authors: Malte Korn, Philip Judson, Raphael Klein, Christian Lemmen, Marc C. Nicklaus, Matthias Rarey
Format: Article
Language:English
Published: Nature Portfolio 2025-06-01
Series:Scientific Data
Online Access:https://doi.org/10.1038/s41597-025-05384-z
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