A Protein Identification Algorithm Optimization for Mass Spectrometry Data using Deep Learning

Author(s):  
Rui Xu ◽  
Mingze Bai ◽  
Kunxian Shu ◽  
Yilong Liang ◽  
Yunping Zhu ◽  
...  
2021 ◽  
Vol 7 (10) ◽  
pp. 203
Author(s):  
Laura Connolly ◽  
Amoon Jamzad ◽  
Martin Kaufmann ◽  
Catriona E. Farquharson ◽  
Kevin Ren ◽  
...  

Mass spectrometry is an effective imaging tool for evaluating biological tissue to detect cancer. With the assistance of deep learning, this technology can be used as a perioperative tissue assessment tool that will facilitate informed surgical decisions. To achieve such a system requires the development of a database of mass spectrometry signals and their corresponding pathology labels. Assigning correct labels, in turn, necessitates precise spatial registration of histopathology and mass spectrometry data. This is a challenging task due to the domain differences and noisy nature of images. In this study, we create a registration framework for mass spectrometry and pathology images as a contribution to the development of perioperative tissue assessment. In doing so, we explore two opportunities in deep learning for medical image registration, namely, unsupervised, multi-modal deformable image registration and evaluation of the registration. We test this system on prostate needle biopsy cores that were imaged with desorption electrospray ionization mass spectrometry (DESI) and show that we can successfully register DESI and histology images to achieve accurate alignment and, consequently, labelling for future training. This automation is expected to improve the efficiency and development of a deep learning architecture that will benefit the use of mass spectrometry imaging for cancer diagnosis.


2019 ◽  
Author(s):  
Ngoc Hieu Tran ◽  
Rui Qiao ◽  
Lei Xin ◽  
Xin Chen ◽  
Baozhen Shan ◽  
...  

AbstractTumor-specific neoantigens play the main role for developing personal vaccines in cancer immunotherapy. We propose, for the first time, a personalized de novo sequencing workflow to identify HLA-I and HLA-II neoantigens directly and solely from mass spectrometry data. Our workflow trains a personal deep learning model on the immunopeptidome of an individual patient and then uses it to predict mutated neoantigens of that patient. This personalized learning and mass spectrometry-based approach enables comprehensive and accurate identification of neoantigens. We applied the workflow to datasets of five melanoma patients and substantially improved the accuracy and identification rate of de novo HLA peptides by 14.3% and 38.9%, respectively. This subsequently led to the identification of 10,440 HLA-I and 1,585 HLA-II new peptides that were not presented in existing databases. Most importantly, our workflow successfully discovered 17 neoantigens of both HLA-I and HLA-II, including those with validated T cell responses and those novel neoantigens that had not been reported in previous studies.


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