Research Articles
Evaluating Keyword Recommendation Systems for Hierarchical Vocabularies in Biomedical Research
This article provides a comprehensive framework for researchers, scientists, and drug development professionals to evaluate keyword recommendation systems that utilize hierarchical controlled vocabularies.
2D vs 3D Molecular Representations: A Comparative Guide for Predictive Modeling in Drug Discovery
This article provides a comprehensive analysis of 2D and 3D molecular representation learning for property prediction, a critical task in modern drug discovery and materials science.
Controlled Vocabulary Annotation for Scientific Data: Enhancing Discovery, Interoperability, and Reproducibility in Biomedical Research
This article provides a comprehensive guide to controlled vocabulary annotation for researchers, scientists, and drug development professionals.
From Observation to Innovation: A Guide to Inductive Theorizing and Hypothesis Generation in Materials Science
This article provides a comprehensive framework for developing robust research hypotheses in materials science and drug development through inductive theorizing.
AI Foundation Models for Materials Discovery: Current State, Applications, and Future Directions
This article provides a comprehensive overview of foundation models (FMs) and their transformative impact on materials discovery.
Comparative Validation of Machine Learning Algorithms for Material Property Prediction: A 2025 Benchmarking Guide
This article provides a comprehensive, comparative analysis of machine learning (ML) algorithms for predicting material properties, a critical task in accelerating material discovery and design.
Cost-Performance Validation of Predicted Bimetallic Catalysts: A Strategic Guide for Research and Development
This article provides a comprehensive framework for the cost-performance validation of computationally predicted bimetallic catalysts, addressing a critical gap between theoretical design and practical application.
Bridging Prediction and Experiment: A Framework for Validating Heusler Compound Stability
This article provides a comprehensive framework for validating the stability predictions of Heusler compounds against experimental data, a critical step for their application in functional materials.
Functionalized MOFs for CO2 Capture: A Comprehensive Comparative Analysis of Performance, Mechanisms, and Future Applications
This article provides a comprehensive analysis of the performance of various functionalized Metal-Organic Frameworks (MOFs) for carbon dioxide capture, addressing key considerations for researchers and scientists.
Benchmarking Organic Piezoelectric Crystals: A Comprehensive Guide to Experimental Performance and Clinical Potential
This article provides a critical analysis of experimental piezoelectric constants for organic crystals, serving as a benchmark for researchers and scientists developing materials for biomedical and energy applications.