Assessment of the significance of patent-derived information for the early identification of compound–target interaction hypotheses von Senger, Stefan

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A Critical Assessment of Docking Programs and Scoring Functions von Warren, Gregory L, Andrews, C. Webster, Capelli, Anna-Maria, Clarke, Brian, LaLonde, Judith, Lambert, Millard H, Lindvall, Mika, Nevins, Neysa, Semus, Simon F, Senger, Stefan, Tedesco, Giovanna, Wall, Ian D, Woolven, James M, Peishoff, Catherine E, Head, Martha S

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Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents von Senger, Stefan, Bartek, Luca, Papadatos, George, Gaulton, Anna

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The application of the open pharmacological concepts triple store (open PHACTS) to support drug discovery research von Ratnam, Joseline, Zdrazil, Barbara, Digles, Daniela, Cuadrado-Rodriguez, Emiliano, Neefs, Jean-Marc, Tipney, Hannah, Siebes, Ronald, Waagmeester, Andra, Bradley, Glyn, Chau, Chau Han, Richter, Lars, Brea, Jose, Evelo, Chris T, Jacoby, Edgar, Senger, Stefan, Loza, Maria Isabel, Ecker, Gerhard F, Chichester, Christine

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Explicit interaction information from WikiPathways in RDF facilitates drug discovery in the Open PHACTS Discovery Platform [version 2; peer review: 2 approved] von Miller, Ryan A, Woollard, Peter, Willighagen, Egon L, Digles, Daniela, Kutmon, Martina, Loizou, Antonis, Waagmeester, Andra, Senger, Stefan, Evelo, Chris T

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Using Tversky Similarity Searches for Core Hopping: Finding the Needles in the Haystack von Senger, Stefan

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Factor 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}sulfonamides von Chan, Chuen, Borthwick, Alan D, Brown, David, Burns-Kurtis, Cynthia L, Campbell, Matthew, Chaudry, Laiq, Chung, Chun-wa, Convery, Máire A, Hamblin, J. Nicole, Johnstone, Lisa, Kelly, Henry A, Kleanthous, Savvas, Patikis, Angela, Patel, Champa, Pateman, Anthony J, Senger, Stefan, Shah, Gita P, Toomey, John R, Watson, Nigel S, Weston, Helen E, Whitworth, Caroline, Young, Robert J, Zhou, Ping

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BRADSHAW: a system for automated molecular design von Green, Darren V. S., Pickett, Stephen, Luscombe, Chris, Senger, Stefan, Marcus, David, Meslamani, Jamel, Brett, David, Powell, Adam, Masson, Jonathan

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Correction to: BRADSHAW: a system for automated molecular design von Green, Darren V. S., Pickett, Stephen, Luscombe, Chris, Senger, Stefan, Marcus, David, Meslamani, Jamel, Brett, David, Powell, Adam, Masson, Jonathan

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Scientific competency questions as the basis for semantically enriched open pharmacological space development von Azzaoui, Kamal, Jacoby, Edgar, Senger, Stefan, Rodríguez, Emiliano Cuadrado, Loza, Mabel, Zdrazil, Barbara, Pinto, Marta, Williams, Antony J., de la Torre, Victor, Mestres, Jordi, Pastor, Manuel, Taboureau, Olivier, Rarey, Matthias, Chichester, Christine, Pettifer, Steve, Blomberg, Niklas, Harland, Lee, Williams-Jones, Bryn, Ecker, Gerhard F.

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Photoisomerization of Bicyclopropylidene and 1,2-Dimethylenecyclobutane in Rare-Gas Matrices: Towards the IR-Spectroscopic Identification of Tetramethyleneethane (2,3-Dimethylenebu... von Maier, Günther, Senger, Stefan

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Zeolites as Transition-Metal-Free Hydrogenation Catalysts:  A Theoretical Mechanistic Study von Senger, Stefan, Radom, Leo

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Compression of Molecular Interaction Fields Using Wavelet Thumbnails: Application to Molecular Alignment von Martin, Richard L, Gardiner, Eleanor J, Senger, Stefan, Gillet, Valerie J

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Discovery and structure-activity relationships of a series of pyroglutamic acid amide antagonists of the P2X7 receptor von ABDI, Muna H, BESWICK, Paul J, LEJEUNE, Clarisse L, LIVERMORE, David G, MEDHURST, Stephen J, MICHEL, Anton D, MOSES, Andrew P, PAGE, Lee, PATEL, Sadhana, ROMAN, Shilina A, SENGER, Stefan, SLINGSBY, Brian, BILLINTON, Andy, STEADMAN, Jon G. A, STEVENS, Alexander J, WALTER, Daryl S, CHAMBERS, Laura J, CHARLTON, Andrew, COLLINS, Sue D, COLLIS, Katharine L, DEAN, David K, FONFRIA, Elena, GLEAVE, Robert J

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The Application of the Open Pharmacological Concepts Triple Store von Ratnam, Joseline, Zdrazil, Barbara, Digles, Daniela, Cuadrado-Rodriguez, Emiliano, Neefs, Jean-Marc, Tipney, Hannah, Siebes, Ronald, Waagmeester, Andra, Bradley, Glyn, Chau, Chau Han, Richter, Lars, Brea, Jose, Evelo, Chris T, Jacoby, Edgar, Senger, Stefan, Loza, Maria Isabel, Ecker, Gerhard F, Chichester, Christine

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Explicit interaction information from WikiPathways in RDF facilitates drug discovery in the Open PHACTS Discovery Platform von Miller, Ryan A, Woollard, Peter, Willighagen, Egon L, Digles, Daniela, Kutmon, Martina, Loizou, Antonis, Waagmeester, Andra, Senger, Stefan, Evelo, Chris T

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Structure-activity relationships and in vivo activity of (1H-pyrazol-4-yl)acetamide antagonists of the P2X(7) receptor von Beswick, Paul J, Billinton, Andy, Chambers, Laura J, Dean, David K, Fonfria, Elena, Gleave, Robert J, Medhurst, Stephen J, Michel, Anton D, Moses, Andrew P, Patel, Sadhana, Roman, Shilina A, Roomans, Sue, Senger, Stefan, Stevens, Alexander J, Walter, Daryl S

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Toward 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) von Senger, Stefan, Radom, Leo

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Scientific competency questions as the basis for semantically enriched open pharmacological space development von Azzaoui, Kamal, Jacoby, Edgar, Senger, Stefan, Cuadrado Rodríguez, Emiliano, Loza, Mabel, Zdrazil, Barbara, Pinto, Marta, Williams, Antony J, Torre, Victor de la, Mestres i López, Jordi, Pastor Maeso, Manuel, Taboureau, Olivier, Rarey, Matthias, Chichester, Christine, Pettifer, Steve, Blomberg, Niklas, Harland, Lee, Williams-Jones, Bryn, Ecker, Gerhard F

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Synthesis and structure-activity relationships of a series of (1H-pyrazol-4-yl)acetamide antagonists of the P2X7 receptor von CHAMBERS, Laura J, STEVENS, Alexander J, THEOBALD, Pam J, BESWICK, Paul J, GLEAVE, Robert J, ROMAN, Shilina A, SENGER, Stefan, MOSES, Andrew P, MICHEL, Anton D, WALTER, Daryl S, DAVIES, David J, LIVERMORE, David G, FONFRIA, Elena, DEMONT, Emmanuel H, VIMAL, Mythily

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