Research Articles
Foundation Models for Materials Synthesis: Accelerating Discovery from Prediction to Production
This article explores the transformative role of foundation models in materials synthesis planning, a critical bottleneck in materials science and drug development.
Conditional Generation for Targeted Material Properties: AI-Driven Design in Drug Discovery and Beyond
This article explores the transformative role of conditional generative models in designing materials and molecules with precisely targeted properties.
Multi-Objective Optimization in Molecular Generation: AI-Driven Strategies for Balanced Drug Design
The design of novel drug candidates necessitates balancing multiple, often competing, molecular properties such as potency, selectivity, metabolic stability, and low toxicity.
Foundation Model Architectures for Inorganic Materials Discovery: A Comprehensive Guide for Researchers
Foundation models are revolutionizing the discovery of inorganic materials by enabling accurate property prediction, generative design, and high-throughput screening of vast chemical spaces.
From Text to Data: Advanced Extraction Techniques for Materials Science Literature
This article provides a comprehensive overview of the latest data extraction techniques for unlocking valuable information trapped in materials science literature.
Navigating the Latent Space: AI-Driven Exploration for Novel Material Discovery in Biomedicine
This article explores the transformative role of latent space exploration in accelerating the discovery of novel materials, with a special focus on biomedical and drug development applications.
Advancing Material Discovery: A Comprehensive Guide to Self-Supervised Pretraining Strategies for Biomedical Applications
This article provides a comprehensive exploration of self-supervised pretraining (SSL) strategies for learning powerful material representations, a critical technology for accelerating drug discovery and materials science.
Emergent Capabilities in Materials Foundation Models: A New Paradigm for Scientific Discovery
Foundation models are catalyzing a transformative shift in materials science and drug development by demonstrating emergent capabilities such as cross-domain generalization and sophisticated reasoning.
Foundation Models for Materials Discovery: Current State, AI Applications, and Future Directions
This article provides a comprehensive overview of the current state of foundation models in accelerating materials discovery.
Malononitrile vs. Meldrum's Acid in Cope Rearrangement: A Comparative Guide for Synthetic and Medicinal Chemistry
This article provides a comprehensive comparative analysis of malononitrile and Meldrum's acid as 3,3-electron-withdrawing groups in Cope rearrangements.