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Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT3A, Histamine H1, and Histamine H4Receptors
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Applications and Success Stories in Virtual Screening
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Ligand‐Based Virtual Screening
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Scaffold‐Hopping Potential of Ligand‐Based Similarity Concepts
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Fragment-based drug discovery
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Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
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Virtual fragment screening on GPCRs: A case study on dopamine D3 and histamine H4 receptors
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Antiinflammatory and antinociceptive effects of the selective histamine H4-receptor antagonists JNJ7777120 and VUF6002 in a rat model of carrageenan-induced acute inflammation
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Histamine H4 receptor antagonists are superior to traditional antihistamines in the attenuation of experimental pruritus
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H4 receptor antagonism exhibits anti-nociceptive effects in inflammatory and neuropathic pain models in rats
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Experiences in fragment-based drug discovery
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Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery
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The Reduced Graph Descriptor in Virtual Screening and Data-Driven Clustering of High-Throughput Screening Data
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Combination of Similarity Rankings Using Data Fusion
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Introduction of Target Cliffs as a Concept To Identify and Describe Complex Molecular Selectivity Patterns
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Complementarity between in Silico and Biophysical Screening Approaches in Fragment-Based Lead Discovery against the A2AAdenosine Receptor
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Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data
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