Results 191 to 200 of about 252,758 (328)
Machine Learning Approaches for GC–MS Data Interpretation in Flavour and Fragrance Analysis
Flavour and Fragrance Journal, EarlyView.The review explores machine learning integration in GC‐MS data analysis for the fragrance and flavour industry, highlighting recent advances and techniques in a context constrained by data scarcity and intellectual property concerns. ABSTRACT This review explores the integration of machine learning (ML) in the analysis of mass spectrometry data ...
Jean‐Baptiste Coffin +3 more
wiley +1 more source
MolGAN-QRL: a hybrid framework for molecule generation using quantum-enhanced reinforcement learning. [PDF]
J CheminformHergli MI, Harigua-Souiai E.
europepmc +1 more source
Food Safety and Health, EarlyView.Urolithin A, a gut microbial metabolite, binds TNF to suppress proliferation, inflammation, and oxidative stress, offering a promising microbe‐derived therapeutic avenue for pulmonary hypertension. ABSTRACT Pulmonary hypertension (PH) is a complex and multifactorial disease that poses a significant clinical challenge.
Yujie Qu +8 more
wiley +1 more source
What Factors Influence the Meaning of Smiling Emoji in WeChat Conversation [PDF]
Jihao Tong, Chuming You
openalex +1 more source
VLA-SMILES: Variable-Length-Array SMILES Descriptors in QSAR Modeling
, 2022 Antonina L. Nazarova
openalex +2 more sources
Entropy-based byte patching transformer for self-supervised pretraining of SMILES data. [PDF]
iScienceMswahili ME +5 more
europepmc +1 more source
Helvetica Chimica Acta, EarlyView.A data science framework integrating DFT featurization and hierarchical clustering was used to map the chemical space of over 2700 alkynes into six subsets before using experimental data for Ni3Zn‐catalyzed semihydrogenation and applying a logistic regression model to categorize substrates by reactivity.
Jordan De Jesus Silva +5 more
wiley +1 more source