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Featured Articles

Molecular Similarity Measures: Navigating Chemical Space for Smarter Drug Design

Molecular Similarity Measures: Navigating Chemical Space for Smarter Drug Design

This article provides a comprehensive overview of molecular similarity measures, a cornerstone concept in modern computational drug discovery.

Bella Sanders Nov 26, 2025
Multireference Perturbation Methods for Bond Breaking: A Comprehensive Guide for Computational Chemistry and Drug Discovery
Computational Assessment of Molecular Self-Assembly: From Foundational Principles to Advanced Applications in Biomedicine
Optimizing Geometry Convergence Thresholds for Molecular Stiffness: A Practical Guide for Computational Drug Discovery
Beyond the Similarity Principle: A Critical Assessment of Molecular Similarity Metrics for Machine Learning in Drug Discovery
Navigating Noise: Advanced Strategies for Adjusting Convergence Criteria in Biomedical Optimization

Recent Articles

Nov 15
From Waste to Water: The Science Behind Safely Turning Wastewater into Crop Irrigation

From Waste to Water: The Science Behind Safely Turning Wastewater into Crop Irrigation

Explore the science and parameters for safely reusing treated wastewater in agriculture. Learn about treatment technolog...

Amelia Ward
wastewater agriculture irrigation
Nov 15
Seeing the Unseeable: How Lab-Based Hard X-Rays are Revealing Hidden Worlds

Seeing the Unseeable: How Lab-Based Hard X-Rays are Revealing Hidden Worlds

Explore how laboratory-based hard X-ray techniques are revolutionizing materials science by revealing buried interfaces...

Aiden Kelly
HAXPES X-ray microscopy materials science
Nov 15
The Tiny Chemical Revolution Supercharging Our Computer Chips

The Tiny Chemical Revolution Supercharging Our Computer Chips

Discover how scientists are using organotin clusters and ambient-pressure XPS to revolutionize computer chip manufacturi...

Lillian Cooper
nanotechnology photoresist EUV
Nov 15
The Hidden Language of Chemistry: How Signs Shape Scientific Knowledge

The Hidden Language of Chemistry: How Signs Shape Scientific Knowledge

Exploring how semiotics and Peircean theory reveal how chemists think, communicate, and construct knowledge through sign...

Allison Howard
semiotics chemistry Peirce
Nov 14
The Secret Life of Glass: Unveiling Universal Mysteries in a Molten Salt

The Secret Life of Glass: Unveiling Universal Mysteries in a Molten Salt

Explore the fascinating properties of Ca₀.₄K₀.₆(NO₃)₁.₄ (CKN), a glass-forming molten salt that reveals universal dynami...

Addison Parker
glass-forming molten salt CKN universal dynamic properties

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