One chiral fingerprint to find them all
Markus Orsi; Jean-Louis Reymond · 2024 · Journal of Cheminformatics
WASTE classifies this as Negative / Null Result Report · AI classification, approximate
The study found no significant effect — useful as a negative control or null benchmark for your own design.
Abstract (excerpt)
Abstract Molecular fingerprints are indispensable tools in cheminformatics. However, stereochemistry is generally not considered, which is problematic for large molecules which are almost all chiral. Herein we report MAP4C, a chiral…
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WASTE indexes this work — it does not host or republish it. Failure-type classification is automated and approximate.
Metadata source: Crossref · DOI 10.1186/s13321-024-00849-6