about
The application of the open pharmacological concepts triple store (Open PHACTS) to support drug discovery researchScientific competency questions as the basis for semantically enriched open pharmacological space developmentSulfonamide-related conformational effects and their importance in structure-based designFactor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamidesSelective and dual action orally active inhibitors of thrombin and factor XaStructure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifsStructure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifsStructure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifsStructure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifsThe discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifsIncorporating Commercial and Private Data into an Open Linked Data Platform for Drug DiscoveryManaging expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patentsA critical assessment of docking programs and scoring functionsWavelet Approximation of GRID Fields: Application to Quantitative Structure-Activity Relationships.Identification of regions of the P2X(7) receptor that contribute to human and rat species differences in antagonist effectsOpen data for drug discovery: learning from the biological community.Discovery and structure-activity relationships of a series of pyroglutamic acid amide antagonists of the P2X7 receptor.Structure-activity relationships and in vivo activity of (1H-pyrazol-4-yl)acetamide antagonists of the P2X(7) receptor.Synthesis and structure-activity relationships of a series of (1H-pyrazol-4-yl)acetamide antagonists of the P2X7 receptor.Assessment of the significance of patent-derived information for the early identification of compound-target interaction hypotheses.Compression of molecular interaction fields using wavelet thumbnails: application to molecular alignment.Using Tversky similarity searches for core hopping: finding the needles in the haystack.SAR Knowledge Bases in Drug DiscoveryThe quest for Factor VIIa exosite inhibitorsArylsulfonamides: A study of the relationship between activity and conformational preferences for a series of factor Xa inhibitorsDesign and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitorsStructure- and property-based design of factor Xa inhibitors: Pyrrolidin-2-ones with acyclic alanyl amides as P4 motifsToward a Low-Barrier Transition-Metal-Free Catalysis of Hydrogenation Reactions: A Theoretical Mechanistic Study of HAlX4-Catalyzed Hydrogenations of Ethene (X = F, Cl, and Br)Zeolites as Transition-Metal-Free Hydrogenation Catalysts: A Theoretical Mechanistic Study2-Vinylmethylenecyclopropane/3-Methylenecyclopentene Rearrangement: Matrix-Infrared Spectroscopic Identification of 4-Methylene-2-pentene-1,5-diyl (1,2‘-Bisallyl Diradical)
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P50
description
auteur
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hulumtues
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հետազոտող
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Stefan Senger
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Stefan Senger
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Stefan Senger
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Stefan Senger
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Stefan Senger
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Stefan Senger
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Stefan Senger
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Stefan Senger
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Stefan Senger
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Stefan Senger
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Stefan Senger
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Stefan Senger
@nl
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0000-0002-7188-9607