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Structure Based Molecular Fingerprint Prediction through Spec2Vec Embedding of GC-EI-MS Spectra

Published on Oct 12, 202311 Views

SiKDD 2023 - Ljubljana

Chapter list

Structure Based Molecular Fingerprint Prediction through Spec2Vec Embedding of GC EI MS Spectra 00:00
Terminology00:19
Structure01:09
Dataset01:52
Spec2Vec02:51
Pipeline04:02
Preprocessing04:23
Spec2Vec Embdedings05:19
Multilabel classification (MLC)05:53
Evaluations and Baseline07:02
Results08:50
Future Work09:56
Conclusion10:52
Thank you11:22