Predicting Endocrine Disruptors: A Deep Learning QSAR Model for Estrogen Receptor Activity
Fuente:
arXiv
Saved in:
| Main Authors: | Desai, Belaguppa Manjunath Ashwin, Murthy, Shreyas, Sridhar, Bhoomika, Manjunath, Anirudh Belaguppa, Humtsoe, Vivien, Biswas, Pronama |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Deep Learning-based QSAR Model for Therapeutic Strategies Targeting SmTGR Protein's Immune Modulating Role in Host-Parasite Interaction
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2025)
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2025)
In Silico Prediction and Validation of LmGt Inhibitors Using QSAR and Molecular Docking Approaches
by: Biswas, Pronama, et al.
Published: (2025)
by: Biswas, Pronama, et al.
Published: (2025)
Prediction of Novel CXCR7 Inhibitors Using QSAR Modeling and Validation via Molecular Docking
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2025)
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2025)
Multi-Ligand Simultaneous Docking Analysis of Moringa Oleifera Phytochemicals Reveals Enhanced BCL-2 Inhibition via Synergistic Action
by: Saha, Asmita, et al.
Published: (2025)
by: Saha, Asmita, et al.
Published: (2025)
Quantum Dots as Functional Nanosystems for Enhanced Biomedical Applications
by: Biswas, Pronama, et al.
Published: (2025)
by: Biswas, Pronama, et al.
Published: (2025)
Computational Analysis using Multi-ligand Simultaneous Docking of Withaferin A and Garcinol Reveals Enhanced BCL-2 and AKT-1 Inhibition
by: Biswas, Pronama, et al.
Published: (2025)
by: Biswas, Pronama, et al.
Published: (2025)
GraphRT: A graph-based deep learning model for predicting the retention time of peptides
by: Drvodelic, Mark, et al.
Published: (2024)
by: Drvodelic, Mark, et al.
Published: (2024)
TopoBind: Multi-Modal Prediction of Antibody-Antigen Binding Free Energy via Sequence Embeddings and Structural Topology
by: Yu, Ciyuan, et al.
Published: (2025)
by: Yu, Ciyuan, et al.
Published: (2025)
HERMES: Holographic Equivariant neuRal network model for Mutational Effect and Stability prediction
by: Visani, Gian Marco, et al.
Published: (2024)
by: Visani, Gian Marco, et al.
Published: (2024)
On Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction
by: Schapin, Nikolai, et al.
Published: (2024)
by: Schapin, Nikolai, et al.
Published: (2024)
Pore-level Quantitative Structure-Activity Relationship (QSAR) for Water Permeation Rate in Aquaporins
by: Galano-Frutos, Juan José, et al.
Published: (2024)
by: Galano-Frutos, Juan José, et al.
Published: (2024)
Deep Learning model predicts the c-Kit-11 mutational status of canine cutaneous mast cell tumors by HE stained histological slides
by: Puget, Chloé, et al.
Published: (2024)
by: Puget, Chloé, et al.
Published: (2024)
Engineering Supercomputing Platforms for Biomolecular Applications
by: Welch, Robert, et al.
Published: (2025)
by: Welch, Robert, et al.
Published: (2025)
Predicting ATP binding sites in protein sequences using Deep Learning and Natural Language Processing
by: V, Shreyas, et al.
Published: (2024)
by: V, Shreyas, et al.
Published: (2024)
Multi-state Protein Design with DynamicMPNN
by: Abrudan, Alex, et al.
Published: (2025)
by: Abrudan, Alex, et al.
Published: (2025)
Sheaf-theoretic representation of the proteolipid code
by: Kervin, Troy A.
Published: (2025)
by: Kervin, Troy A.
Published: (2025)
Review of Natural Language Processing in Pharmacology
by: Trajanov, Dimitar, et al.
Published: (2022)
by: Trajanov, Dimitar, et al.
Published: (2022)
AgenticPosesRanker: An Agentic AI Framework for Physically Grounded Ranking of Protein-Ligand Docking Poses
by: Khiari, Sofiene, et al.
Published: (2026)
by: Khiari, Sofiene, et al.
Published: (2026)
ToxBench: A Binding Affinity Prediction Benchmark with AB-FEP-Calculated Labels for Human Estrogen Receptor Alpha
by: Liu, Meng, et al.
Published: (2025)
by: Liu, Meng, et al.
Published: (2025)
BConformeR: A Conformer Based on Mutual Sampling for Unified Prediction of Continuous and Discontinuous Antibody Binding Sites
by: You, Zhangyu, et al.
Published: (2025)
by: You, Zhangyu, et al.
Published: (2025)
DeepSilencer: A Novel Deep Learning Model for Predicting siRNA Knockdown Efficiency
by: Liao, Wangdan, et al.
Published: (2025)
by: Liao, Wangdan, et al.
Published: (2025)
Recent methods from statistical inference and machine learning to improve integrative modeling of macromolecular assemblies
by: Arvindekar, Shreyas, et al.
Published: (2024)
by: Arvindekar, Shreyas, et al.
Published: (2024)
FlowDock: Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction
by: Morehead, Alex, et al.
Published: (2024)
by: Morehead, Alex, et al.
Published: (2024)
MTLComb: multi-task learning combining regression and classification tasks for joint feature selection
by: Cao, Han, et al.
Published: (2024)
by: Cao, Han, et al.
Published: (2024)
Contrastive learning of T cell receptor representations
by: Nagano, Yuta, et al.
Published: (2024)
by: Nagano, Yuta, et al.
Published: (2024)
Learning Inter-Atomic Potentials without Explicit Equivariance
by: Elhag, Ahmed A., et al.
Published: (2025)
by: Elhag, Ahmed A., et al.
Published: (2025)
Frontiers in integrative structural biology: modeling disordered proteins and utilizing in situ data
by: Majila, Kartik, et al.
Published: (2024)
by: Majila, Kartik, et al.
Published: (2024)
Prediction of Binding Affinity for ErbB Inhibitors Using Deep Neural Network Model with Morgan Fingerprints as Features
by: Aman, La Ode
Published: (2025)
by: Aman, La Ode
Published: (2025)
AI Developments for T and B Cell Receptor Modeling and Therapeutic Design
by: Xie, Linhui, et al.
Published: (2026)
by: Xie, Linhui, et al.
Published: (2026)
ApisTox: a new benchmark dataset for the classification of small molecules toxicity on honey bees
by: Adamczyk, Jakub, et al.
Published: (2024)
by: Adamczyk, Jakub, et al.
Published: (2024)
SHREC 2025: Protein surface shape retrieval including electrostatic potential
by: Yacoub, Taher, et al.
Published: (2025)
by: Yacoub, Taher, et al.
Published: (2025)
Symbolic Neural Generation with Applications to Lead Discovery in Drug Design
by: Srinivasan, Ashwin, et al.
Published: (2025)
by: Srinivasan, Ashwin, et al.
Published: (2025)
Deep Learning for Protein Complex Prediction and Design
by: Xie, Ziwei
Published: (2026)
by: Xie, Ziwei
Published: (2026)
DeepFRI Demystified: Interpretability vs. Accuracy in AI Protein Function Prediction
by: Krishna, Ananya, et al.
Published: (2025)
by: Krishna, Ananya, et al.
Published: (2025)
Enhancing Drug-Target Interaction Prediction through Transfer Learning from Activity Cliff Prediction Tasks
by: Ibragimova, Regina, et al.
Published: (2024)
by: Ibragimova, Regina, et al.
Published: (2024)
DeepRLI: A Multi-objective Framework for Universal Protein--Ligand Interaction Prediction
by: Lin, Haoyu, et al.
Published: (2024)
by: Lin, Haoyu, et al.
Published: (2024)
DeepBioisostere: Discovering Bioisosteres with Deep Learning for a Fine Control of Multiple Molecular Properties
by: Kim, Hyeongwoo, et al.
Published: (2024)
by: Kim, Hyeongwoo, et al.
Published: (2024)
Deep Learning of Proteins with Local and Global Regions of Disorder
by: Zhang, Oufan, et al.
Published: (2025)
by: Zhang, Oufan, et al.
Published: (2025)
Proteomic Learning of Gamma-Aminobutyric Acid (GABA) Receptor-Mediated Anesthesia
by: Jiang, Jian, et al.
Published: (2025)
by: Jiang, Jian, et al.
Published: (2025)
Geometry-Complete Diffusion for 3D Molecule Generation and Optimization
by: Morehead, Alex, et al.
Published: (2023)
by: Morehead, Alex, et al.
Published: (2023)
Similar Items
-
Deep Learning-based QSAR Model for Therapeutic Strategies Targeting SmTGR Protein's Immune Modulating Role in Host-Parasite Interaction
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2025) -
In Silico Prediction and Validation of LmGt Inhibitors Using QSAR and Molecular Docking Approaches
by: Biswas, Pronama, et al.
Published: (2025) -
Prediction of Novel CXCR7 Inhibitors Using QSAR Modeling and Validation via Molecular Docking
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2025) -
Multi-Ligand Simultaneous Docking Analysis of Moringa Oleifera Phytochemicals Reveals Enhanced BCL-2 Inhibition via Synergistic Action
by: Saha, Asmita, et al.
Published: (2025) -
Quantum Dots as Functional Nanosystems for Enhanced Biomedical Applications
by: Biswas, Pronama, et al.
Published: (2025)