From ebd5010fe6243a13f1f31a943df865a0dc55a789 Mon Sep 17 00:00:00 2001 From: "HC.Ji" Date: Tue, 8 Feb 2022 09:44:30 +0800 Subject: [PATCH] Update README.md --- README.md | 18 +++++++++++++++++- 1 file changed, 17 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 7e6c560..bbfc928 100644 --- a/README.md +++ b/README.md @@ -77,7 +77,23 @@ There are many types of chemical fingerprint for describing the molecule provide ### Cite -[Predicting Molecular Fingerprint from Electron-Ionization Mass Spectrum with Deep Neural Networks](https://pubs.acs.org/doi/10.1021/acs.analchem.0c01450) + +```bibtex +@article{doi:10.1021/acs.analchem.0c01450, +author = {Ji, Hongchao and Deng, Hanzi and Lu, Hongmei and Zhang, Zhimin}, +title = {Predicting a Molecular Fingerprint from an Electron Ionization Mass Spectrum with Deep Neural Networks}, +journal = {Analytical Chemistry}, +volume = {92}, +number = {13}, +pages = {8649-8653}, +year = {2020}, +doi = {10.1021/acs.analchem.0c01450}, + note ={PMID: 32584545}, +URL = { + https://doi.org/10.1021/acs.analchem.0c01450 + +}} +``` ### Support fingerprint types: