Crowdsourced Chemistry – Why Online Chemistry Data Needs Your Help
Towards More Reliable 13C and 1H Chemical Shift Prediction: A Systematic Comparison of Neural Network and Least Squares Regression Based Approaches
Precompetitive preclinical ADME/tox data and set it free on the web to facilitate computational model building
When pharmaceutical companies publish large datasets an abundance of riches or fools gold
Jean-Claude Bradley – a Visionary in the field of Open Science
Delivering on the promise of a chemistry data repository for the world
Mobile apps for drug discovery
Challenges and recommendations for obtaining chemical structures of industry
The Benefits of Participation in the Social Web of Science
Cheminformatics for Dye Chemistry Research: Bringing Online an Unprecedented 100,000 Sample Dye Library
Building a data repository to manage chemistry research data
Checking, Curating And Qualifying Chemistry
Elucidating undecipherable chemical structures using computer assisted structure elucidation approaches
Using indirect covariance spectra to identify artifact responses
Empirical and quantum mechanical methods of 13 c chemical shifts prediction competitors or collaborators
Structure revision of asperjinone using computer assisted structure elucidation methods
The Performance Validation of Neural Network Based 13C NMR Prediction Using a Publicly Available Data Source.
ChemSpider – A Platform to Gather, Host and Integrate Structure Based Data Across the Web
Structural revisions of natural products by computer assisted structure elucidation systems
A predictive ligand based Bayesian model for human drug induced liver injury