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Molecular Informatics|August 3, 2016
Using Graph Indices for the Analysis and Comparison of Chemical DatasetsDenis Fourches, Alexander TropshaMolecular Informatics|August 3, 2016
Universal Approach for Structural Interpretation of QSAR/QSPR ModelsPavel G Polishchuk, Victor E Kuz'min, Anatoly G Artemenko, et al.Molecular Informatics|March 31, 2018
Evaluation of Kinase Inhibitor Selectivity Using Cell-based Profiling DataFilip Miljković, Jürgen BajorathMolecular Informatics|March 9, 2018
In silico Predicted Glucose-1-phosphate Uridylyltransferase (GalU) Inhibitors Block a Key Pathway Required for Listeria VirulenceMelaine A Kuenemann, Patricia A Spears, Paul E Orndorff, et al.Molecular Informatics|October 10, 2017
Virtual Screening Approach of Bacterial Peptide Deformylase Inhibitors Results in New AntibioticsAmina Merzoug, Abdelouahab Chikhi, Abderrahmane Bensegueni, et al.Molecular Informatics|February 22, 2018
Computer Simulations Reveal a Novel Blocking Mode of the hERG Ion Channel by the Antiarrhythmic Agent ClofiliumDaniel Șterbuleac, Călin Lucian ManiuMolecular Informatics|June 2, 2020
Evaluation of Molecular Fingerprints for Determining Dye Aggregation on Semiconductor SurfacesVishwesh VenkatramanMolecular Informatics|June 9, 2020
In Silico Analysis of FDA Drugs as P2X4 Modulators for the Treatment of Alcohol Use DisorderFrancisco Reyes-Espinosa, María G Nieto-Pescador, Virgilio Bocanegra-García, et al.Molecular Informatics|June 24, 2020
sensaas: Shape-based Alignment by Registration of Colored Point-based SurfacesDominique Douguet, Frédéric PayanPageof 101