Smelling the disease: Diagnostic potential of breath analysis

A Sharma, R Kumar, P Varadwaj - Molecular Diagnosis & Therapy, 2023 - Springer
Breath analysis is a relatively recent field of research with much promise in scientific and
clinical studies. Breath contains endogenously produced volatile organic components …

Molecular dynamics simulation techniques and their application to aroma compounds/cyclodextrin inclusion complexes: A review

X Kou, D Su, F Pan, X Xu, Q Meng, Q Ke - Carbohydrate Polymers, 2024 - Elsevier
Homeostatic technologies play a crucial role in maintaining the quality and extending the
service life of aroma compounds (ACs). Commercial cyclodextrins (CDs) are commonly …

[HTML][HTML] Data science opportunities of large language models for neuroscience and biomedicine

D Bzdok, A Thieme, O Levkovskyy, P Wren, T Ray… - Neuron, 2024 - cell.com
Large language models (LLMs) are a new asset class in the machine-learning landscape.
Here we offer a primer on defining properties of these modeling techniques. We then reflect …

Artificial intelligence in intestinal polyp and colorectal cancer prediction

A Sharma, R Kumar, G Yadav, P Garg - Cancer letters, 2023 - Elsevier
Artificial intelligence (AI) algorithms and their application to disease detection and decision
support for healthcare professions have greatly evolved in the recent decade. AI has been …

DeePred-BBB: A blood brain barrier permeability prediction model with improved accuracy

R Kumar, A Sharma, A Alexiou, AL Bilgrami… - Frontiers in …, 2022 - frontiersin.org
The blood-brain barrier (BBB) is a selective and semipermeable boundary that maintains
homeostasis inside the central nervous system (CNS). The BBB permeability of compounds …

Deep learning-based prediction model for diagnosing gastrointestinal diseases using endoscopy images

A Sharma, R Kumar, P Garg - International Journal of Medical Informatics, 2023 - Elsevier
Background Gastrointestinal (GI) infections are quite common today around the world.
Colonoscopy or wireless capsule endoscopy (WCE) are noninvasive methods for examining …

A critical review on odor measurement and prediction

Y Wang, L Shao, X Kang, H Zhang, F Lü… - Journal of Environmental …, 2023 - Elsevier
Odor pollution has become a global environmental issue of increasing concern in recent
years. Odor measurements are the basis of assessing and solving odor problems. Olfactory …

Recent advances and challenges in experiment-oriented polymer informatics

K Hatakeyama-Sato - Polymer Journal, 2023 - nature.com
This review summarizes recent advances in experimental polymer chemistry supported by
data science. The area of polymer informatics is rapidly growing based on cheminformatics …

Predicting Odor Sensory Attributes of Unidentified Chemicals in Water Using Fragmentation Mass Spectra with Machine Learning Models

Y Huang, L Bu, K Huang, H Zhang… - Environmental Science & …, 2024 - ACS Publications
Knowing odor sensory attributes of odorants lies at the core of odor tracking when
addressing waterborne odor issues. However, experimental determination covering tens of …

Progress on open chemoinformatic tools for expanding and exploring the chemical space

JL Medina-Franco, N Sánchez-Cruz… - Journal of Computer …, 2022 - Springer
The concept of chemical space is a cornerstone in chemoinformatics, and it has broad
conceptual and practical applicability in many areas of chemistry, including drug design and …