POSREG: proteomic signature discovered by simultaneously optimizing its reproducibility and generalizability
Mass spectrometry-based proteomic technique has become indispensable in current
exploration of complex and dynamic biological processes. Instrument development has …
exploration of complex and dynamic biological processes. Instrument development has …
DrugMAP: molecular atlas and pharma-information of all drugs
The efficacy and safety of drugs are widely known to be determined by their interactions with
multiple molecules of pharmacological importance, and it is therefore essential to …
multiple molecules of pharmacological importance, and it is therefore essential to …
Molecular mechanism for the allosteric inhibition of the human serotonin transporter by antidepressant escitalopram
W Xue, T Fu, S Deng, F Yang, J Yang… - ACS chemical …, 2022 - ACS Publications
Human serotine transporter (hSERT) is one of the most influential drug targets, and its
allosteric modulators (eg, escitalopram) have emerged to be the next-generation medication …
allosteric modulators (eg, escitalopram) have emerged to be the next-generation medication …
Metagenome-scale community metabolic modelling for understanding the role of gut microbiota in human health
Metabolic activities of the microbial population are important to maintain the balance of
almost all the ecosystems on earth. In the human gut environment, these microbial …
almost all the ecosystems on earth. In the human gut environment, these microbial …
LargeMetabo: an out-of-the-box tool for processing and analyzing large-scale metabolomic data
Q Yang, B Li, P Wang, J Xie, Y Feng… - Briefings in …, 2022 - academic.oup.com
Large-scale metabolomics is a powerful technique that has attracted widespread attention in
biomedical studies focused on identifying biomarkers and interpreting the mechanisms of …
biomedical studies focused on identifying biomarkers and interpreting the mechanisms of …
ConSIG: consistent discovery of molecular signature from OMIC data
The discovery of proper molecular signature from OMIC data is indispensable for
determining biological state, physiological condition, disease etiology, and therapeutic …
determining biological state, physiological condition, disease etiology, and therapeutic …
PFmulDL: a novel strategy enabling multi-class and multi-label protein function annotation by integrating diverse deep learning methods
Bioinformatic annotation of protein function is essential but extremely sophisticated, which
asks for extensive efforts to develop effective prediction method. However, the existing …
asks for extensive efforts to develop effective prediction method. However, the existing …
Investigating cardiotoxicity related with hERG channel blockers using molecular fingerprints and graph attention mechanism
T Wang, J Sun, Q Zhao - Computers in Biology and Medicine, 2023 - Elsevier
Human ether-a-go-go-related gene (hERG) channel blockade by small molecules is a big
concern during drug development in the pharmaceutical industry. Failure or inhibition of …
concern during drug development in the pharmaceutical industry. Failure or inhibition of …
A multi-omics machine learning framework in predicting the survival of colorectal cancer patients
M Yang, H Yang, L Ji, X Hu, G Tian, B Wang… - Computers in Biology …, 2022 - Elsevier
Background Colorectal cancer (CRC), the 3rd most universal cancer globally, accounts for
approximately 10% of newly diagnosed cancer incidences each year. Identifying biomarkers …
approximately 10% of newly diagnosed cancer incidences each year. Identifying biomarkers …
A review of performance prediction based on machine learning in materials science
Z Fu, W Liu, C Huang, T Mei - Nanomaterials, 2022 - mdpi.com
With increasing demand in many areas, materials are constantly evolving. However, they
still have numerous practical constraints. The rational design and discovery of new materials …
still have numerous practical constraints. The rational design and discovery of new materials …