Research Articles
Hydrogen Bonding: Ab Initio Accuracy From Fast Interatomic Gaussian Approximation Potentials
Exploring how Gaussian Approximation Potentials and machine learning are revolutionizing hydrogen bond simulation with quantum-level accuracy at unprecedented speeds.
AI and Chemistry: The Revolutionary Partnership Reshaping Science
Explore how artificial intelligence is transforming chemistry research, accelerating discoveries, and reshaping scientific methodology through advanced AI technologies.
The Molecular Detective: How QSAR is Revolutionizing Drug Discovery
Explore how Quantitative Structure-Activity Relationship (QSAR) modeling is transforming drug discovery through AI and machine learning, accelerating the journey from concept to cure.
When Drugs Collide: How AI is Predicting Hidden Medication Dangers
Comprehensive review exploring how machine learning is revolutionizing drug-drug interaction prediction to enhance medication safety worldwide.
The Silent Saboteur in Drug Discovery: When Machine Learning Models Chase Noise Instead of Data
Examining how machine learning models in drug discovery may be fitting experimental noise rather than true biological signals, and solutions to address this challenge.