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Combinatorial QSAR Modeling of Specificity and Subtype Selectivity of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1F

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Predictive QSAR Modeling Workflow, Model Applicability Domains, and Virtual Screening

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Recent Advances in Development, Validation, and Exploitation of QSAR Models
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Recent Advances in Development, Validation, and Exploitation of QSAR Models
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Current Modeling Methods Used in QSAR/QSPR
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Novel algorithm to select basis functions in spline regression: applications in quantitative structure–activity relationship studies
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ChemInform Abstract: Combinatorial QSAR Modeling of Specificity and Subtype Selectivity of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1F.
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QSAR Modeling of SARS‐CoV M pro Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS‐CoV‐2
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Recent Trends in Statistical QSAR Modeling of Environmental Chemical Toxicity
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Molecular modelling and QSAR analysis of some structurally diverse N-type calcium channel blockers
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Estimating persistence of brominated and chlorinated organic pollutants in air, water, soil, and sediments with the QSPR-based classification scheme
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In silico design and in vitro assessment of anti-Helicobacter pylori compounds as potential small-molecule arginase inhibitors
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Synthesis, cytotoxic activity evaluation and HQSAR study of novel isosteviol derivatives as potential anticancer agents
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Comparative Docking Study of Anibamine as the First Natural Product CCR5 Antagonist in CCR5 Homology Models
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Novel Inhibitors of Human Histone Deacetylase (HDAC) Identified by QSAR Modeling of Known Inhibitors, Virtual Screening, and Experimental Validation
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Predicting Subtype Selectivity for Adenosine Receptor Ligands with Three-Dimensional Biologically Relevant Spectrum (BRS-3D)
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QSAR models of human data can enrich or replace LLNA testing for human skin sensitization
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Computational QSAR model combined molecular descriptors and fingerprints to predict HDAC1 inhibitors
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A Novel Multilevel Statistical Method for the Study of the Relationships between Multireceptorial Binding Affinity Profiles and In Vivo Endpoints
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An Algorithm to Identify Target-Selective Ligands – A Case Study of 5-HT7/5-HT1A Receptor Selectivity
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Anibamine and its Analogues as Novel Anti-Prostate Cancer Agents
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Computational Approaches in Evaluating the 5-HT Subtype Receptor Mechanism of Action for Developing Novel Chemical Entities
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