Copertina

Machine learning model leveraging SMILES-derived NMR spectroscopy data to predict dopamine D1 receptor antagonists: a prospective framework for forecasting the impact of engineered nanoparticles on the functionalities of small biomolecules

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Ivanova, Mariya L, Nichols, Michael, Russo, Nicola, Mihaylov, Gueorgui, Nikolic, Konstantin
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Other Quantitative Biology
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Comparative analysis of computational approaches for predicting Transthyretin (TTR) transcription activators and human dopamine D1 receptor antagonists
di: Ivanova, Mariya L., et al.
Pubblicazione: (2025)

Machine Learning - driven insights for predicting the impact of nanoparticles on the functionality of biomolecules, Illustrated by the case of DNA Damage-Inducible Transcript 3 (CHOP) inhibitors
di: Ivanova, Mariya L., et al.
Pubblicazione: (2025)

IUPAC-Induced Computational Approaches for Identifying Boosters of Small Biomolecule Functionality: A Case Study of Human Tyrosyl-DNA Phosphodiesterase 1 (TDP1) Inhibitors
di: Ivanova, Mariya L., et al.
Pubblicazione: (2025)

In Silico Functional Profiling of Engineered Small Molecules: A Machine Learning Approach Leveraging PubChem Identifiers (CID_SID ML model)
di: Ivanova, Mariya L., et al.
Pubblicazione: (2025)

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions
di: Mariya L. Ivanova, et al.
Pubblicazione: (2026)

Targeting Neurodegeneration: Three Machine Learning Methods for G9a Inhibitors Discovery Using PubChem and Scikit-learn
di: Ivanova, Mariya L., et al.
Pubblicazione: (2025)

POE-$Δ$: a framework for change engineering
di: Markov, Georgi, et al.
Pubblicazione: (2025)

Analyzing the retraining frequency of global forecasting models: towards more stable forecasting systems
di: Zanotti, Marco
Pubblicazione: (2025)

Good intentions, unintended consequences: exploring forecasting harms
di: Rostami-Tabar, Bahman, et al.
Pubblicazione: (2024)

Hybrid physics-data driven spectral forecasts of semisubmersible response
di: Milne, Ian, et al.
Pubblicazione: (2026)

Transverse spin photocurrents in ultrathin topological insulator films
di: Movafagh, Shahrzad, et al.
Pubblicazione: (2025)

Microwave pulse transparency in Flux-qubit based superconducting quantum metamaterial
di: Galovic, S., et al.
Pubblicazione: (2025)

Spin-current model of electric polarization with the tensor gyromagnetic ratio
di: Trukhanova, Mariya Iv., et al.
Pubblicazione: (2026)

Momentum, spin, and orbital angular momentum of electromagnetic, acoustic, and water waves
di: Bliokh, Konstantin Y.
Pubblicazione: (2025)

An exponential logarithmic measure of drug receptor binding and saturation
di: Tozzi, Arturo
Pubblicazione: (2026)

Channel capacity of small modular quantum networks in the ultrastrongly coupled regime
di: Cordovana, Salvatore Alex, et al.
Pubblicazione: (2025)

Integration of IoT- AI powered local weather forecasting: A Game-Changer for Agriculture
di: Das, Suman Kumar, et al.
Pubblicazione: (2024)

On the retraining frequency of global models in retail demand forecasting
di: Zanotti, Marco
Pubblicazione: (2025)

Broadband ultrafast self-heterodyned chiro-optical spectroscopy
di: Gucci†, Francesco, et al.
Pubblicazione: (2025)

Flux-switching Floquet engineering
di: Powell, Ian Emmanuel, et al.
Pubblicazione: (2025)

A decade of SBOL Visual: growing adoption of a diagram standard for engineering biology
di: Buecherl, Lukas, et al.
Pubblicazione: (2025)

Interplay of gain and loss in arrays of nonlinear plasmonic nanoparticles: toward parametric downconversion and amplification
di: Shah, Syed A., et al.
Pubblicazione: (2023)

Ultrafast switching of antiferromagnetic order by field-derivative torque
di: Mukherjee, Pratyay, et al.
Pubblicazione: (2026)

Robust phase correction techniques for terahertz time-domain reflection spectroscopy
di: Jatkar, Kasturie D., et al.
Pubblicazione: (2024)

Interpret the estimand framework from a causal inference perspective
di: Zeng, Jinghong
Pubblicazione: (2024)

Physical fitness post VO2max -- a computational framework
di: Borresen, J, et al.
Pubblicazione: (2025)

Ultrafast spectroscopy and role of interlayer coupling in high harmonic generation from layered solids
di: Uzner, Eyal, et al.
Pubblicazione: (2026)

Plasmon-enhanced Brillouin Light Scattering spectroscopy for magnetic systems. I. Theoretical Model
di: Lozovski, Valeri, et al.
Pubblicazione: (2024)

Electrical Readout Strategies of GFET Biosensors for Real-World Requirements
di: Geiwitz, Michael, et al.
Pubblicazione: (2025)

Aubry transition with small distortions
di: Cépas, O., et al.
Pubblicazione: (2024)

Plasmon-enhanced Brillouin Light Scattering (BLS) spectroscopy for magnetic systems. II. Numerical simulations
di: Demydenko, Yurii, et al.
Pubblicazione: (2024)

Characterization of mood and emotion regulation in females with PMS/PMDD using near-infrared spectroscopy to assess prefrontal cerebral blood flow and the mood questionnaire
di: Aoki, Makiko, et al.
Pubblicazione: (2024)

Notes from the Physics Teaching Lab: NMR Experiments at 21 Gauss
di: Libbrecht, Kenneth G.
Pubblicazione: (2025)

IUMENTA: A generic framework for animal digital twins within the Open Digital Twin Platform
di: Youssef, Ali, et al.
Pubblicazione: (2024)

A generalized framework for procedural generation of three-dimensional static and dynamic plant model geometries
di: Bailey, Brian N.
Pubblicazione: (2025)

Selective band engineering of Bi/Si(111) by boron segregation
di: Barre, E., et al.
Pubblicazione: (2025)

Cryogenic scanning photocurrent spectroscopy for materials responses to structured optical fields
di: Hao, Duxing, et al.
Pubblicazione: (2025)

Cavity-enhanced spectroscopy of individual nuclear spins in a dense bath
di: Ulanowski, Alexander, et al.
Pubblicazione: (2025)

Photon correlation Fourier spectroscopy of a B center in hBN
di: Delteil, Aymeric, et al.
Pubblicazione: (2025)

Two-point spectroscopy of Fibonacci topoelectrical circuits
di: Franca, Selma, et al.
Pubblicazione: (2023)