2025 Volume 16 - Issue 1

1.

Predicting Controlled-Release Tablet Dissolution Using Polymer Grade, Drug Solubility, and Compression Parameters PDF

Daniel Fischer, Laura Meier, Thomas Braun, Stefan Koch

2025 Issue 1

Downloads: 27

2.

Closed-Loop Artificial Intelligence Platform for Lipid Nanoparticle Optimization Using Microfluidic Processing, Bayesian Optimization, and Stability Feedback PDF

Claire Martin, Julien Robert, Sophie Bernard, Antoine Girard

2025 Issue 1

Downloads: 36

3.

SHAP-Guided Graph Neural Networks for Hepatotoxicity Prediction Using Molecular Substructures and Cytotoxicity Profiles PDF

Ahmed Mansour, Omar Saeed

2025 Issue 1

Downloads: 31

4.

Generative Transformers for CYP3A4-Sparing Molecule Design Using ADMET and Synthetic Feasibility Constraints PDF

Nguyen Thanh Huy, Pham Quang Minh, Le Thi Bich

2025 Issue 1

Downloads: 27

5.

Pillai M. Multimodal Deep Learning for Drug–Target Interaction Prediction Using Molecular Graphs and Protein Embeddings PDF

Ravi Kumar, Neha Sharma, Aniket Deshmukh, Arjun Nair

2025 Issue 1

Downloads: 29

6.

Cell State, Not Cell Type, Should Anchor Computational Strategies for Therapeutic Target Discovery PDF

Ahmed Hamdy, Mona Khalil, Youssef Ibrahim

2025 Issue 1

Downloads: 25

7.

The Transportability Map for Multi-Omics Models across Populations, Platforms, Laboratories, and Biological Contexts PDF

Lensa Abebe, Fatuma Hussein, Chala Daba, Jan van den Bergh

2025 Issue 1

Downloads: 23

8.

Tracing Protein–Ligand Predictions Back to Atomic Contacts, Binding Context, Structural Alternatives, and Model Uncertainty PDF

Giuseppe Bianchi, Marie Dubois, Pedro Reyes, Chiara Lombardi

2025 Issue 1

Downloads: 20

9.

Binding Affinity Is Not Binding Behavior: Reframing Learned Molecular Recognition around Kinetics, Conformational Change, and Residence Time PDF

Binta Jallow, Musa Conteh, Christopher Okafor, Fatou Sanyang

2025 Issue 1

Downloads: 20

10.

Perturbation Atlases as Pharmacological Reasoning Engines for Connecting Molecular Interventions to Context-Dependent Cellular Responses PDF

Kadiatou Diallo, Fode Camara, Moriba Keita, Sophie Leclercq

2025 Issue 1

Downloads: 21

11.

Drug Repurposing as Evidence Reconciliation across Disease Signatures, Molecular Mechanisms, Prior Failures, and Clinical Context PDF

Rui Costa, Emily Watson, Karim Benziane, Andre Silva

2025 Issue 1

Downloads: 21