Quantitative Structure Activity Relationship (qsar) Modeling - Toxicology

Relevant Publications

Applicability Domain for Trustable Predictions.

Issue Release: 2025

Modeling the Blood-Brain Barrier Permeability of Potential Heterocyclic Drugs via Biomimetic IAM Chromatography Technique Combined with QSAR Methodology.

Issue Release: 2024

Computer-Aided Design and Biological Evaluation of Diazaspirocyclic DR Antagonists.

Issue Release: 2024

Identification of Novel Tyrosinase Inhibitors with Nanomolar Potency Using Virtual Screening Approaches.

Issue Release: 2024

Monte Carlo Optimization Method Based QSAR Modeling of Placental Barrier Permeability.

Issue Release: 2024

Computational-based investigation of antioxidative potential polyphenolic compounds of Salvia officinalis L.: combined DFT and molecular docking approaches.

Issue Release: 2024

Shaping the Future of Obesity Treatment: In Silico Multi-Modeling of IP6K1 Inhibitors for Obesity and Metabolic Dysfunction.

Issue Release: 2024

Identification of Novel EGFR Inhibitors for the Targeted Therapy of Colorectal Cancer Using Pharmacophore Modelling, Docking, Molecular Dynamic Simulation and Biological Activity Prediction.

Issue Release: 2024

Machine Learning-Based Approach to Identify Inhibitors of Sterol-14-Alpha Demethylase: A Study on Chagas Disease.

Issue Release: 2024

Unlocking the Potential of High-Quality Dopamine Transporter Pharmacological Data: Advancing Robust Machine Learning-Based QSAR Modeling.

Issue Release: 2024

Prioritizing Asthma Treatment Drugs through Multicriteria Decision Making.

Issue Release: 2024

Establishing short-term occupational exposure limits (STELs) for sensory irritants using predictive and respiratory rate depression (RD) models.

Issue Release: 2024

Generalizability Improvement of Interpretable Symbolic Regression Models for Quantitative Structure-Activity Relationships.

Issue Release: 2024

3D-QSAR Studies on High-affinity Phosphodiestera.

Issue Release: 2024

Control list of high-priority chemicals based on 5-HT-RI functionality and the human health interference effects selective CNN-GRU deep learning model.

Issue Release: 2024

Evaluation of in silico model predictions for mammalian acute oral toxicity and regulatory application in pesticide hazard and risk assessment.

Issue Release: 2024

Development and experimental validation of 3D QSAR models for the screening of thyroid peroxidase inhibitors using integrated methods of computational chemistry.

Issue Release: 2024

A Comparison of In Vitro Metabolic Clearance of Various Regulatory Fish Species Using Hepatic S9 Fractions.

Issue Release: 2024

Predicting Chemical Immunotoxicity through Data-Driven QSAR Modeling of Aryl Hydrocarbon Receptor Agonism and Related Toxicity Mechanisms.

Issue Release: 2024

In-silico mechanistic analysis of adsorption of Iodinated Contrast Media agents on graphene surface.

Issue Release: 2024

What are the Advantages of 3D Cell Models?

Can Lifestyle Factors Exacerbate the Effects of Toxicants on the Insulin Pathway?

Why is Wavelength Important in Toxicology?

What are Missing Values in Toxicology?

What Are the Common Sources of Radiation Exposure?

What are the Consequences of Improper Storage?

What are the Research Directions for the Future?

What are the primary cellular targets of toxicants?

How Does Dose Influence Physiological Effects?

What Are the Treatment Options for Lead and Mercury Poisoning?

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