1 citations · 1 across the 2 of their papers we have counts for
6 papers
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
Mariya L. Ivanova, Michael Nicholls, Nicola Russo +2
This study introduces a pioneering machine learning (ML)-based approach for predicting the impact of nanoparticle (NP) carriers on the functionality of attached small biomolecules.…
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
Mariya L Ivanova, Michael Nichols, Nicola Russo +2
The article proposes a conceptual approach for evaluating the impact of engineered nanoparticles (NPs) on the functionality of small biomolecules. The developed machine learning (M…
In Silico Functional Profiling of Engineered Small Molecules: A Machine Learning Approach Leveraging PubChem Identifiers (CID_SID ML model)
Mariya L. Ivanova, Michael Nicholls, Nicola Russo +2
The article introduces a concept for a time- and cost-effective methodological framework leveraging machine learning (ML) models for both early-stage drug development and clinical…
IUPAC-Induced Computational Approaches for Identifying Boosters of Small Biomolecule Functionality: A Case Study of Human Tyrosyl-DNA Phosphodiesterase 1 (TDP1) Inhibitors
Mariya L. Ivanova, Nicola Russo, Gueorgui Mihaylov +1
This paper introduces several proof-of-concept (PoC) computational methods intended to offer biochemical researchers straightforward, time- and cost-effective strategies to acceler…
Targeting Neurodegeneration: Three Machine Learning Methods for G9a Inhibitors Discovery Using PubChem and Scikit-learn
Mariya L. Ivanova, Nicola Russo, Konstantin Nikolic
In light of the increasing interest in G9a's role in neuroscience, three machine learning (ML) models, that are time efficient and cost effective, were developed to support researc…
Comparative analysis of computational approaches for predicting Transthyretin (TTR) transcription activators and human dopamine D1 receptor antagonists
Mariya L. Ivanova, Nicola Russo, Gueorgui Mihaylov +1
The study expands the application of scikit-learn-based machine learning (ML) to the prediction of small biomolecule functionalities based on Carbon 13 isotope (13C) NMR spectrosco…