Experimental evaluation of similarity indices about the MIA molecular family. Mejri, Y. M., Beniddir, M. A., Cailloux, O., & Öztürk, M. 2022. DA2PL'2022: From Multiple Criteria Decision Aid to Preference Learning
Article
Conference
Hal abstract bibtex The purpose of this article is to evaluate the performance of the Morgan/Tanimoto, modified cosine similarity, Spec2Vec and MS2Deep Score similarity indices that aim at measuring structural and spectral similarities between molecules. To illustrate this evaluation, we used a spectral database containing about a hundred of the emblematic monoterpene indole alkaloids (MIADB).
@misc{mejri_experimental_2022,
title = {Experimental evaluation of similarity indices about the MIA molecular family},
keywords = {similarity indices, MS/MS, similarity comparaison},
url_Article = {https://da2pl.pre.utc.fr/wp-content/uploads/sites/70/2022/11/DA2PL_paper_2645.pdf},
url_Conference = {https://da2pl.pre.utc.fr/},
url_HAL = { https://hal.science/hal-04272008 },
abstract = {The purpose of this article is to evaluate the performance of the Morgan/Tanimoto, modified cosine similarity, Spec2Vec and MS2Deep Score similarity indices that aim at measuring structural and spectral similarities between molecules. To illustrate this evaluation, we used a spectral database containing about a hundred of the emblematic monoterpene indole alkaloids (MIADB).},
note = {DA2PL'2022: From Multiple Criteria Decision Aid to Preference Learning},
author = {Yassine M. Mejri and Mehdi A. Beniddir and Olivier Cailloux and Meltem Öztürk},
year = {2022}
}
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