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Page Curation and analysis of Polyketide Metabolism in Mycobacterium tuberculosis
Page KnockTB: Repository of Essential genes in Mycobacterium tuberculosis
Page Elaborate Graph Mining: Exploiting Structural Invariants and Latent Information in Graph Databases to predict REACH-relevant Endpoints.
Page In Silico Modelling of Phospholipidosis: Improving Predictive Performance Through the Use of Structural Fragments
Page Defining Protein Reactivity Through Electrophilic Chemistry to Allow for Chemical Grouping and Read-Across
Page Support vector machine aided online docking server for in silico prediction of albumin binding
Page SiSi3D: Using Significantly Similar Subgraphs for Similarity Search in 3D
Page Toxicity Prediction using Support Vector Machines and Random Forest Models based on Maximum Common Substructure Based Algorithm
Page Non-testing strategies - a tiered approach
Page Global transcriptional profiling of time dependent multilineage differentiation of human embryonic stem cells and its implications for developmental toxicity assessments
Page Bioinformatics-based identification of assays that inform on disease hazard
Page Pharmacophore based screening and QSAR analysis of structurally diverse compounds for lead selection and optimization against multiple targets
Page In vitro antiradical, antidermatophyte and anti-inflammatory activities of essential oils of two aromatic plants, Apium graveolens (Apiaceae) and Thymus vulgaris (Lamiaceae)
Page Predictive toxicity of Chemicals of the essential oils of Ocimum gratissimum L. from Yaoundé (Center region Cameroon) and Dschang (West region Cameroon).
Page Mixture Risk Assessment of Atrazine, Chlorpyrifos and Endosulfan
Page Stepwise D-Optimal design based on latent variables
Page Predictive uncertainty by analogy – does it make sense?
Page Applicability domain estimation for classification QSARs on example of Ames test and CYP450 inhibition
Page Using docking-derived protein-ligand interaction descriptors to increase performance of QSAR models for human CYP450 inhibition
Page An Extensive Multi-label Analysis of the ToxCast Data Set
Page LoMoGraph (Local Models for Graph Classification and Regression)
Page In silico pKa prediction
Page Parallel Structural Graph Clustering
Page Active and Reactive Metabolites Formed During Hepatic First-Pass: Simulations Featuring Their Contribution to the Overall Effect in Altered Liver Clearance and Drug-Drug Interactions
Page Ligand-based in silico modeling for the prediction and the identification of Tpl2 inhibitors
Page Data integration. A case study
Page A Weight-of-Evidence Approach to Prioritisation based on Consensus across Multiple Sources of Information
Page Machine Learning Methods for Peptide Toxicity Prediction
Page In vitro embryotoxicity testing with human embryonic stem cells reveals markers for all-trans-retinoic acid
Page Assessment of the complementarity of machine learning methods in QSAR modeling using AZOrange
Page CheS-Mapper: Chemical Space Mapping and Visualization in 3D
Page Collaborative Virtual Organization and Infrastructure for Anti-Malarial Drug Design
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