Results 221 to 230 of about 23,816 (337)

DFT based structural modeling of chemotherapy drugs via topological indices and curvilinear regression. [PDF]

Sci Rep
Saeed F, Idrees N, Imran M.
europepmc   +1 more source

Multiple Regression plots between topological indices , , , , , , , and density.

Khadija Sarwar (21213550), Salma Kanwal (17276643), Asima Razzaque (20521431)   +2 more
openalex   +1 more source

AI‐Driven Cancer Multi‐Omics: A Review From the Data Pipeline Perspective

Advanced Intelligent Discovery, EarlyView.
The exponential growth of cancer multi‐omics data brings opportunities and challenges for precision oncology. This review systematically examines AI's role in addressing these challenges, covering generative models, integration architectures, Explainable AI for clinical trust, clinical applications, and key directions for clinical translation.
Shilong Liu, Shunxiang Li, Kun Qian
wiley   +1 more source

Optimizing wireless sensor networks using fuzzy triangular snake graph models and fuzzy topological indices. [PDF]

Sci Rep
Hashem AF, Liaqat S, Mufti ZS, Hanif MF.
europepmc   +1 more source

QSPR Analysis of Eye Conjunctivitis Drops Using Regression Model via Degree Based Topological Indices

Greeta .T
openalex   +2 more sources

Uncertainty‐Guided Selective Adaptation Enables Cross‐Platform Predictive Fluorescence Microscopy

Advanced Intelligent Discovery, EarlyView.
Deep learning models often fail when transferred to new microscopes. A novel framework overcomes this by selectively adapting the early layers governing low‐level image statistics, while freezing deep layers that encode morphology. This uncertainty‐guided approach enables robust, label‐free virtual staining across diverse systems, democratizing ...
Kai‐Wen K. Yang, Andrew Bai, Alexandra Bermudez, Yunqi Hong, Zoe Latham, Iris Sloan, Michael Liu, Vishrut Goyal, Cho‐Jui Hsieh, Neil Y. C. Lin   +9 more
wiley   +1 more source

Predicting flavonoid physicochemical properties using topological indices and regression modeling. [PDF]

Sci Rep
Li H, Yousaf S, Shahzadi K, Ibrahim SMM, Aslam A, Zhang G, Tola KA.   +6 more
europepmc   +1 more source

Large‐Scale Machine Learning to Screen for Small‐Molecule Senolytics

Advanced Intelligent Discovery, EarlyView.
A consistent workflow underpins all experiments in this study. A dedicated model‐selection dataset first identifies optimal hyperparameters for each algorithm. Models are then trained and rigorously evaluated on independent sets of molecules using the senolytic ratio SR. Comprehensive hyperparameter exploration across SMILES representations, task types,
Alexis Dougha, Jesus Gil, Pedro J. Ballester   +2 more
wiley   +1 more source

Incorporation of Organic Counter‐Cations Into Poly(Heptazine Imide) Networks for Promoting Proton‐Coupled Electron Transfer During Photocatalytic H2O2 Evolution

Angewandte Chemie, EarlyView.
Incorporation of N‐based onium ions into the ionic framework of poly(heptazine imide) was obtained via protonation‐deprotonation of PHI frameworks arising from a parent Na‐containing analogue. Particularly, methylammonium moieties, through their small molecular size, hydrogen bonding capabilities and rotational mobility, appear to stabilize ...
Dingqiao Ji, Hikmat Binyaminov, Desiree Leistenschneider, Martin Oschatz, Paolo Giusto, Markus Antonietti, Horațiu Szalad   +6 more
wiley   +2 more sources

Predictive modeling of influenza strain drugs using temperature-based topological indices and regression analysis via multi-criteria decision making techniques. [PDF]

Sci Rep
Hayat H, Ahmad S, Siddiqui MK, Petros FB.   +3 more
europepmc   +1 more source