Decoding Drug Discovery: Exploring A-to-Z In silico Methods for Beginners
Fuente:
arXiv
Saved in:
| Main Authors: | Rasul, Hezha O., Ghafour, Dlzar D., Aziz, Bakhtyar K., Hassan, Bryar A., Rashid, Tarik A., Kivrak, Arif |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
In silico design, in vitro construction and in vivo application of synthetic small regulatory RNAs in bacteria
by: Brueck, Michel, et al.
Published: (2023)
by: Brueck, Michel, et al.
Published: (2023)
Domain Knowledge Infused Conditional Generative Models for Accelerating Drug Discovery
by: Hu, Bing, et al.
Published: (2025)
by: Hu, Bing, et al.
Published: (2025)
Response of Different Tomato Accessions to Biotic and Abiotic Stresses
by: Rasul, Kamaran Salh, et al.
Published: (2024)
by: Rasul, Kamaran Salh, et al.
Published: (2024)
A Morse Transform for Drug Discovery
by: Tanaka, Alexander M., et al.
Published: (2025)
by: Tanaka, Alexander M., et al.
Published: (2025)
Recent Developments in GNNs for Drug Discovery
by: Fang, Zhengyu, et al.
Published: (2025)
by: Fang, Zhengyu, et al.
Published: (2025)
GraphAge: Unleashing the power of Graph Neural Network to Decode Epigenetic Aging
by: Ahmed, Saleh Sakib, et al.
Published: (2024)
by: Ahmed, Saleh Sakib, et al.
Published: (2024)
DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback
by: Sheikholeslami, Mahsa, et al.
Published: (2024)
by: Sheikholeslami, Mahsa, et al.
Published: (2024)
Beyond SMILES: Evaluating Agentic Systems for Drug Discovery
by: Wijaya, Edward
Published: (2026)
by: Wijaya, Edward
Published: (2026)
In silico clinical trials in drug development: a systematic review
by: Chen, Bohua, et al.
Published: (2025)
by: Chen, Bohua, et al.
Published: (2025)
Benchmarking open-source tools for in silico antiviral drug discovery
by: Elton, Daniel C., et al.
Published: (2026)
by: Elton, Daniel C., et al.
Published: (2026)
Compressing Biology: Evaluating the Stable Diffusion VAE for Phenotypic Drug Discovery
by: Cropsal, Télio, et al.
Published: (2025)
by: Cropsal, Télio, et al.
Published: (2025)
Improving Molecule Generation and Drug Discovery with a Knowledge-enhanced Generative Model
by: Malusare, Aditya, et al.
Published: (2024)
by: Malusare, Aditya, et al.
Published: (2024)
An Interactive Platform for Unified Assessment of Drug-Drug Interactions Using Descriptive and Pharmacokinetic Data
by: Diadkina, Nadezhda
Published: (2025)
by: Diadkina, Nadezhda
Published: (2025)
Targeting Neurodegeneration: Three Machine Learning Methods for G9a Inhibitors Discovery Using PubChem and Scikit-learn
by: Ivanova, Mariya L., et al.
Published: (2025)
by: Ivanova, Mariya L., et al.
Published: (2025)
Dose‐Dependent Hepato–Renal Histopathology and Inflammatory Signaling Changes After Subacute Oral Resveratrol Exposure in Healthy Female Rats
by: Nasreen S. Hamad, et al.
Published: (2026)
by: Nasreen S. Hamad, et al.
Published: (2026)
Advancing Drug Development Through Strategic Cell Line and Compound Selection Using Drug Response Profiles
by: Abdel-Rehim, Abbi, et al.
Published: (2025)
by: Abdel-Rehim, Abbi, et al.
Published: (2025)
Characterisation of Anti-Arrhythmic Drug Effects on Cardiac Electrophysiology using Physics-Informed Neural Networks
by: Chiu, Ching-En, et al.
Published: (2024)
by: Chiu, Ching-En, et al.
Published: (2024)
In-silico biological discovery with large perturbation models
by: Miladinovic, Djordje, et al.
Published: (2025)
by: Miladinovic, Djordje, et al.
Published: (2025)
SynCell: Contextualized Drug Synergy Prediction
by: Peng, Keqin, et al.
Published: (2025)
by: Peng, Keqin, et al.
Published: (2025)
Drug discovery guided by maximum drug likeness
by: Zhu, Hao-Yu, et al.
Published: (2025)
by: Zhu, Hao-Yu, et al.
Published: (2025)
Time-structured models of population growth in fluctuating environments
by: Pillai, Pradeep, et al.
Published: (2025)
by: Pillai, Pradeep, et al.
Published: (2025)
Explainable deep learning framework for cancer therapeutic target prioritization leveraging PPI centrality and node embeddings
by: Alkhadrawi, Adham M., et al.
Published: (2025)
by: Alkhadrawi, Adham M., et al.
Published: (2025)
A Novel Method for Clustering Cellular Data to Improve Classification
by: Wheeler, Diek W., et al.
Published: (2024)
by: Wheeler, Diek W., et al.
Published: (2024)
Pharmacophore-Guided Generative Design of Novel Drug-Like Molecules
by: Podplutova, Ekaterina, et al.
Published: (2025)
by: Podplutova, Ekaterina, et al.
Published: (2025)
CardiGraphormer: Unveiling the Power of Self-Supervised Learning in Revolutionizing Drug Discovery
by: Gupta, Abhijit
Published: (2023)
by: Gupta, Abhijit
Published: (2023)
Drug Resistance Predictions Based on a Directed Flag Transformer
by: Chen, Dong, et al.
Published: (2024)
by: Chen, Dong, et al.
Published: (2024)
Attention-based ROI Discovery in 3D Tissue Images
by: Fathollahian, Hossein, et al.
Published: (2025)
by: Fathollahian, Hossein, et al.
Published: (2025)
Mathematical Discovery of Potential Therapeutic Targets: Application to Rare Melanomas
by: Aghaee, Mahya, et al.
Published: (2025)
by: Aghaee, Mahya, et al.
Published: (2025)
Tracing protein and proteome history with chronologies and networks: folding recapitulates evolution
by: Caetano-Anollés, Gustavo, et al.
Published: (2026)
by: Caetano-Anollés, Gustavo, et al.
Published: (2026)
Leveraging Transfer Learning and User-Specific Updates for Rapid Training of BCI Decoders
by: Chen, Ziheng, et al.
Published: (2025)
by: Chen, Ziheng, et al.
Published: (2025)
Entropy-Reinforced Planning with Large Language Models for Drug Discovery
by: Liu, Xuefeng, et al.
Published: (2024)
by: Liu, Xuefeng, et al.
Published: (2024)
Accelerating Discovery of Novel and Bioactive Ligands With Pharmacophore-Informed Generative Models
by: Xie, Weixin, et al.
Published: (2024)
by: Xie, Weixin, et al.
Published: (2024)
WGTDA: A Topological Perspective to Biomarker Discovery in Gene Expression Data
by: Nyase, Ndivhuwo, et al.
Published: (2024)
by: Nyase, Ndivhuwo, et al.
Published: (2024)
Enhancing Drug Discovery: Autoencoder-Based Latent Space Augmentation for Improved Molecular Solubility Prediction using LatMixSol
by: Hasankhani, Mohammad Saleh
Published: (2025)
by: Hasankhani, Mohammad Saleh
Published: (2025)
HyperADRs: A Hierarchical Hypergraph Framework for Drug-Gene-ADR Prediction
by: Cai, Ze, et al.
Published: (2025)
by: Cai, Ze, et al.
Published: (2025)
Drug-target interaction prediction by integrating heterogeneous information with mutual attention network
by: Zhang, Yuanyuan, et al.
Published: (2024)
by: Zhang, Yuanyuan, et al.
Published: (2024)
Mitosis, Cytoskeleton Regulation, and Drug Resistance in Receptor Triple Negative Breast Cancer
by: Matov, Alexandre
Published: (2024)
by: Matov, Alexandre
Published: (2024)
Developing an Inhaled NEU1 Inhibitor for Cystic Fibrosis via Pharmacokinetic and Biophysical Modeling
by: Almeshale, Yousra Hassan Alsaad, et al.
Published: (2025)
by: Almeshale, Yousra Hassan Alsaad, et al.
Published: (2025)
A Graph Completion Method that Jointly Predicts Geometry and Topology Enables Effective Molecule Assembly
by: Koodli, Rohan V., et al.
Published: (2025)
by: Koodli, Rohan V., et al.
Published: (2025)
ToolMol: Evolutionary Agentic Framework for Multi-objective Drug Discovery
by: Zhou, Andrew Y., et al.
Published: (2026)
by: Zhou, Andrew Y., et al.
Published: (2026)
Similar Items
-
In silico design, in vitro construction and in vivo application of synthetic small regulatory RNAs in bacteria
by: Brueck, Michel, et al.
Published: (2023) -
Domain Knowledge Infused Conditional Generative Models for Accelerating Drug Discovery
by: Hu, Bing, et al.
Published: (2025) -
Response of Different Tomato Accessions to Biotic and Abiotic Stresses
by: Rasul, Kamaran Salh, et al.
Published: (2024) -
A Morse Transform for Drug Discovery
by: Tanaka, Alexander M., et al.
Published: (2025) -
Recent Developments in GNNs for Drug Discovery
by: Fang, Zhengyu, et al.
Published: (2025)