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Molecular Informatics|August 2, 2016
QSAR Prediction of Passive Permeability in the LLC-PK1 Cell Line: Trends in Molecular Properties and Cross-Prediction of Caco-2 PermeabilitiesEdward C Sherer, Andreas Verras, Maria Madeira, et al.
Molecular Informatics|August 2, 2016
Disease-Specific Differentiation Between Drugs and Non-Drugs Using Principal Component Analysis of Their Molecular Descriptor SpaceAlfonso T García-Sosa, Mare Oja, Csaba Hetényi, et al.
Molecular Informatics|August 2, 2016
Application of GQSAR for Scaffold Hopping and Lead Optimization in Multitarget InhibitorsSubhash Ajmani, Sudhir A Kulkarni
Molecular Informatics|August 3, 2016
Towards a Fuzzy Expert System on Toxicological Data Quality AssessmentLongzhi Yang, Daniel Neagu, Mark T D Cronin, et al.
Molecular Informatics|August 3, 2016
Enrichment of True Positives from Structural Alerts Through the Use of Novel Atomic Fragment Based DescriptorsAnthony Long, Patrik Rydberg
Molecular Informatics|August 3, 2016
Read-Across Prediction of the Acute Toxicity of Organic Compounds toward the Water Flea Daphnia magnaRalph Kühne, Ralf-Uwe Ebert, Peter C von der Ohe, et al.
Molecular Informatics|August 3, 2016
Quality Issues with Public Domain Chemogenomics DataTuomo Kalliokoski, Christian Kramer, Anna Vulpetti
Molecular Informatics|August 3, 2016
Structural Key Bit Occurrence Frequencies and Dependencies in PubChem and Their Effect on Similarity SearchesNelson G Chen, Val Golovlev
Molecular Informatics|August 3, 2016
Computational Insights into the Mechanism of Inhibition of OASS-A by a Small Molecule InhibitorAgostino Bruno, Laura Amori, Gabriele Costantino
Molecular Informatics|August 3, 2016
The Acid/Base Profile of the Human Metabolome and Natural ProductsDavid T Manallack, Matthew L Dennis, Mark R Kelly, et al.
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