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Updated: Jan 21, 2026

Fabrication of a Bioactive, PCL-based "Self-fitting" Shape Memory Polymer Scaffold
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Fabrication of a Bioactive, PCL-based "Self-fitting" Shape Memory Polymer Scaffold

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Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping

Oliver Laufkötter1,2, Noé Sturm3, Jürgen Bajorath4

  • 1Hit Discovery, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden. oliver.laufkotter@gmail.com.

Journal of Cheminformatics
|August 10, 2019
PubMed

Keywords:
Activity predictionCircular fingerprintsECFPHTSFPHigh throughput screeningMachine learningRandom forestScaffold hopping

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