All Stories

  1. Could deep learning in neural networks improve the QSAR models?
  2. QSPR as a random event: solubility of fullerenes C[60] and C[70]
  3. Ensemble-Based Modeling of Chemical Compounds with Antimalarial Activity
  4. Virtual Screening of Anti-Cancer Compounds: Application of Monte Carlo Technique
  5. Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization
  6. Classification of a Naïve Bayesian Fingerprint model to predict reproductive toxicity$
  7. Metal oxide Nanoparticles genotoxicity nano-QSAR model
  8. Genotoxicity of metal oxide nanomaterials - review
  9. Correction: Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms
  10. In silico models for predicting ready biodegradability under REACH: A comparative study
  11. Validation of quantitative structure–activity relationship models to predict water-solubility of organic compounds
  12. Integration of QSAR models for bioconcentration suitable for REACH