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QSAR/QSPR and Proprietary Data

https://doi.org/10.1021/ci0680079
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inferred← citeshttps://doi.org/10.1002/0471266949.bmc002.pub2openalex-snapshot
Recent Advances in Development, Validation, and Exploitation of QSAR Models
inferred← citeshttps://doi.org/10.1002/0471266949.bmc002.pub3openalex-snapshot
Recent Advances in Development, Validation, and Exploitation of QSAR Models
inferred← citeshttps://doi.org/10.1002/cmdc.200900390openalex-snapshot
3‐Heterocycle‐Phenyl N‐Alkylcarbamates as FAAH Inhibitors: Design, Synthesis and 3D‐QSAR Studies
inferred← citeshttps://doi.org/10.1002/minf.201000061openalex-snapshot
Best Practices for QSAR Model Development, Validation, and Exploitation
inferred← citeshttps://doi.org/10.1002/minf.201100129openalex-snapshot
Existing and Developing Approaches for QSAR Analysis of Mixtures
inferred← citeshttps://doi.org/10.1002/qsar.200690026openalex-snapshot
QSAR/QSPR Modelling – Finding Rules in Noisy Data?
inferred← citeshttps://doi.org/10.1007/978-0-387-30440-3_422openalex-snapshot
QSAR Modeling and QSAR Based Virtual Screening, Complexity and Challenges of Modern
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_1openalex-snapshot
Some Trends in Chem(o)informatics
inferred← citeshttps://doi.org/10.1007/978-3-7643-8340-4_13openalex-snapshot
Recent Trends in Statistical QSAR Modeling of Environmental Chemical Toxicity
inferred← citeshttps://doi.org/10.1007/978-94-017-9257-8_16openalex-snapshot
Cheminformatics: At the Crossroad of Eras
inferred← citeshttps://doi.org/10.1007/s00894-008-0293-0openalex-snapshot
Modeling the excitation wavelengths (λex) of boronic acids
inferred← citeshttps://doi.org/10.1007/s10822-008-9199-2openalex-snapshot
Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening
inferred← citeshttps://doi.org/10.1016/j.bmcl.2011.02.110openalex-snapshot
Prediction of biological activity of Aurora-A kinase inhibitors by multilinear regression analysis and support vector machine
inferred← citeshttps://doi.org/10.1016/j.bmcl.2013.04.087openalex-snapshot
Prediction of bioactivity of ACAT2 inhibitors by multilinear regression analysis and support vector machine
inferred← citeshttps://doi.org/10.1016/s1877-1173(10)91006-5openalex-snapshot
The T1R2/T1R3 Sweet Receptor and TRPM5 Ion Channel
inferred← citeshttps://doi.org/10.1017/cbo9780511730412.012openalex-snapshot
QSAR in drug discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00313openalex-snapshot
Comment on The Ecstasy and Agony of Assay Interference Compounds
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00523openalex-snapshot
Assessment and Reproducibility of Quantitative Structure–Activity Relationship Models by the Nonexpert
inferred← citeshttps://doi.org/10.1021/ci100176xopenalex-snapshot
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research
inferred← citeshttps://doi.org/10.1021/ci400197wopenalex-snapshot
Modeling, Informatics, and the Quest for Reproducibility
inferred← citeshttps://doi.org/10.1021/ci400460qopenalex-snapshot
Application of Quantitative Structure–Activity Relationship Models of 5-HT1A Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT1A Ligands
inferred← citeshttps://doi.org/10.1021/jm4004285openalex-snapshot
QSAR Modeling: Where Have You Been? Where Are You Going To?
inferred← citeshttps://doi.org/10.1038/nrd4128openalex-snapshot
Chemical predictive modelling to improve compound quality
inferred← citeshttps://doi.org/10.1080/10629360902949567openalex-snapshot
How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)
inferred← citeshttps://doi.org/10.1186/1758-2946-2-5openalex-snapshot
Towards interoperable and reproducible QSAR analyses: Exchange of datasets
inferred← citeshttps://doi.org/10.1289/ehp3264openalex-snapshot
Best Practices for QSAR Model Reporting: Physical and Chemical Properties, Ecotoxicity, Environmental Fate, Human Health, and Toxicokinetics Endpoints
inferred← citeshttps://doi.org/10.17615/tkd5-e303openalex-snapshot
Cheminformatics Modeling of Diverse and Disparate Biological Data and the Use of Models to Discover Novel Bioactive Molecules
inferred← citeshttps://doi.org/10.2174/1386207318666150703113948openalex-snapshot
Discovery of Natural Product-Derived 5-HT1A Receptor Binders by Cheminfomatics Modeling of Known Binders, High Throughput Screening and Experimental Validation
inferred← citeshttps://doi.org/10.3390/sym14112406openalex-snapshot
On ve-Degree Irregularity Index of Graphs and Its Applications as Molecular Descriptor
inferred← citeshttps://doi.org/10.5582/bst.2012.v6.5.234openalex-snapshot
Density functional theory based quantitative structure-property relationship studies on coumarin-based prodrugs
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