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A Linear Combination of Pharmacophore Hypotheses as a New Tool in Search of New Active Compounds – An Application for 5-HT1A Receptor Ligands

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Figshare2016-01-18 更新2026-04-29 收录
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https://figshare.com/articles/dataset/A_Linear_Combination_of_Pharmacophore_Hypotheses_as_a_New_Tool_in_Search_of_New_Active_Compounds_An_Application_for_5_HT_1A_Receptor_Ligands/881331
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This study explores a new approach to pharmacophore screening involving the use of an optimized linear combination of models instead of a single hypothesis. The implementation and evaluation of the developed methodology are performed for a complete known chemical space of 5-HT1AR ligands (3616 active compounds with Ki
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2016-01-18
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