Synergy between machine learning and natural products cheminformatics: Application to the lead discovery of anthraquinone derivatives
Cheminformatics utilizing machine learning (ML) techniques have opened up a new horizon
in drug discovery. This is owing to vast chemical space expansion with rocketing numbers of …
in drug discovery. This is owing to vast chemical space expansion with rocketing numbers of …
[HTML][HTML] Gingival crevicular fluid peptidome profiling in healthy and in periodontal diseases
M Preianò, R Savino, C Villella, C Pelaia… - International journal of …, 2020 - mdpi.com
Given its intrinsic nature, gingival crevicular fluid (GCF) is an attractive source for the
discovery of novel biomarkers of periodontal diseases. GCF contains antimicrobial peptides …
discovery of novel biomarkers of periodontal diseases. GCF contains antimicrobial peptides …
[HTML][HTML] MALDI-TOF mass spectrometry on intact bacteria combined with a refined analysis framework allows accurate classification of MSSA and MRSA
W Tang, N Ranganathan, V Shahrezaei… - PloS one, 2019 - journals.plos.org
Fast and reliable detection coupled with accurate data-processing and analysis of antibiotic-
resistant bacteria is essential in clinical settings. In this study, we use MALDI-TOF on intact …
resistant bacteria is essential in clinical settings. In this study, we use MALDI-TOF on intact …
Nucleosome positioning based on generalized relative entropy
M Lu, S Liu - Soft Computing, 2019 - Springer
Nucleosome positioning played significant roles in various biological processes. With the
development of high-throughput techniques, many methods and software were developed …
development of high-throughput techniques, many methods and software were developed …
Discrimination of Escherichia coli, Shigella flexneri, and Shigella sonnei using lipid profiling by MALDI‐TOF mass spectrometry paired with machine learning
Matrix‐assisted laser desorption/ionization‐time of flight mass spectrometry (MALDI‐TOF
MS) has become a staple in clinical microbiology laboratories. Protein‐profiling of bacteria …
MS) has become a staple in clinical microbiology laboratories. Protein‐profiling of bacteria …
Establishing objective measures of clinical competence in undergraduate medical education through immersive virtual reality
MW Zackoff, D Young, RD Sahay, L Fei, FJ Real… - Academic pediatrics, 2021 - Elsevier
Abstract Objective The Association of American Medical Colleges defines recognition of the
need for urgent or emergent escalation of care as a key Entrustable Professional Activity …
need for urgent or emergent escalation of care as a key Entrustable Professional Activity …
[HTML][HTML] Rapid diagnosis of periodontitis, a feasibility study using MALDI-TOF mass spectrometry
A Antezack, H Chaudet, H Tissot-Dupont, P Brouqui… - PLoS …, 2020 - journals.plos.org
Aim The aim of the present study was to assess the feasibility and diagnostic contribution of
protein profiling using MALDI-TOF mass spectrometry applied to saliva, gingival crevicular …
protein profiling using MALDI-TOF mass spectrometry applied to saliva, gingival crevicular …
[HTML][HTML] Sparse Proteomics Analysis–a compressed sensing-based approach for feature selection and classification of high-dimensional proteomics mass …
Background High-throughput proteomics techniques, such as mass spectrometry (MS)-
based approaches, produce very high-dimensional data-sets. In a clinical setting one is …
based approaches, produce very high-dimensional data-sets. In a clinical setting one is …
Identification of allergens from Aspergillus fumigatus—Potential association with lung damage in asthma
EM Rick, K Woolnough, M Richardson, W Monteiro… - Allergy, 2024 - Wiley Online Library
Background Component‐resolved diagnosis allows detection of IgE sensitization having the
advantage of reproducibility and standardization compared to crude extracts. The main …
advantage of reproducibility and standardization compared to crude extracts. The main …
Intelligently applying artificial intelligence in chemoinformatics
The intertwining of chemoinformatics with artificial intelligence (AI) has given a tremendous
fillip to the field of drug discovery. With the rapid growth of chemical data from high …
fillip to the field of drug discovery. With the rapid growth of chemical data from high …