Practical Applications of Deep Learning To Impute Heterogeneous Drug Discovery Data von Irwin, Benedict W J, Levell, Julian R, Whitehead, Thomas M, Segall, Matthew D, Conduit, Gareth J

Volltext

Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation von Irwin, Benedict W. J, Huggins, David J

Volltext

Large-Scale Study of Hydration Environments through Hydration Sites von Irwin, Benedict W. J, Vukovic, Sinisa, Payne, Michael C, Huggins, David J

Volltext

An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials von Tse, Edwin G, Aithani, Laksh, Anderson, Mark, Cardoso-Silva, Jonathan, Cincilla, Giovanni, Conduit, Gareth J, Galushka, Mykola, Guan, Davy, Hallyburton, Irene, Irwin, Benedict W. J, Kirk, Kiaran, Lehane, Adele M, Lindblom, Julia C. R, Lui, Raymond, Matthews, Slade, McCulloch, James, Motion, Alice, Ng, Ho Leung, Öeren, Mario, Robertson, Murray N, Spadavecchio, Vito, Tatsis, Vasileios A, van Hoorn, Willem P, Wade, Alexander D, Whitehead, Thomas M, Willis, Paul, Todd, Matthew H

Volltext

On the accuracy of one- and two-particle solvation entropies von Irwin, Benedict W. J., Huggins, David J.

Volltext

Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein–Ligand Interactions with Linear Response Theory von Davolio, Anthony J., J. Jankowski, Wojciech, Várnai, Csilla, Irwin, Benedict W. J., Payne, Michael C., Chau, Pak-Lee

Volltext

Deep imputation on large‐scale drug discovery data von Irwin, Benedict W. J., Whitehead, Thomas M., Rowland, Scott, Mahmoud, Samar Y., Conduit, Gareth J., Segall, Matthew D.

Volltext

GABA receptor associated protein changes the electrostatic environment around the GABA type A receptor von Irwin, Benedict W. J., Wanjura, Clara C., Molnar, Daniel, Rutter, Michael J., Payne, Michael C., Chau, P.‐L.

Volltext

Imputation Versus Prediction: Applications in Machine Learning for Drug Discovery von Irwin, Benedict W J, Mahmoud, Samar, Whitehead, Thomas M, Conduit, Gareth J, Segall, Matthew D

Volltext

Deep imputation on large‐scale drug discovery data von Irwin, Benedict W. J, Whitehead, Thomas M, Rowland, Scott, Mahmoud, Samar Y, Conduit, Gareth J, Segall, Matthew D

Volltext bestellen

Imputation versus prediction: applications in machine learning for drug discovery von Irwin, Benedict W J, Mahmoud, Samar, Whitehead, Thomas M, Conduit, Gareth J, Segall, Matthew D

Volltext bestellen

Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein-Ligand Interactions with Linear Response Theory von Davolio, Anthony J, J Jankowski, Wojciech, Várnai, Csilla, Irwin, Benedict WJ, Payne, Michael C, Chau, Pak-Lee

Volltext bestellen

GABA receptor associated protein changes the electrostatic environment around the GABA type A receptor von Irwin, Benedict WJ, Wanjura, Clara C, Molnar, Daniel, Rutter, Michael J, Payne, Michael C, Chau, P-L

Volltext bestellen

Imputation Versus Prediction: Applications in Machine Learning for Drug Discovery von Irwin, Benedict WJ, Mahmoud, Samar, Whitehead, Thomas M, Conduit, Gareth J, Segall, Matthew D

Volltext bestellen

Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation von Irwin, Benedict WJ, Huggins, David J

Volltext bestellen

An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials von Tse, Edwin G, Aithani, Laksh, Anderson, Mark, Cardoso-Silva, Jonathan, Cincilla, Giovanni, Conduit, Gareth J, Galushka, Mykola, Guan, Davy, Hallyburton, Irene, Irwin, Benedict WJ, Kirk, Kiaran, Lehane, Adele M, Lindblom, Julia CR, Lui, Raymond, Matthews, Slade, McCulloch, James, Motion, Alice, Ng, Ho Leung, Öeren, Mario, Robertson, Murray N, Spadavecchio, Vito, Tatsis, Vasileios A, van Hoorn, Willem P, Wade, Alexander D, Whitehead, Thomas M, Willis, Paul, Todd, Matthew H

Volltext bestellen

Prediction of disability-free survival in healthy older people von Neumann, Johannes Tobias, Thao, Le T. P., Murray, Anne M., Callander, Emily, Carr, Prudence R., Nelson, Mark R., Wolfe, Rory, Woods, Robyn L., Reid, Christopher M., Shah, Raj C., Newman, Anne B., Williamson, Jeff D., Tonkin, Andrew M., McNeil, John J.

Volltext

Combining Sources of Preference Data for Modeling Complex Decision Processes von Louviere, Jordan J., Meyer, Robert J., Bunch, David S., Carson, Richard, Dellaert, Benedict, Hanemann, W. Michael, Hensher, David, Irwin, Julie

Volltext

HEC choice symposium von Ben-Akiva, Moshe, McFadden, Daniel, Gärling, Tommy, Gopinath, Dinesh, Bolduc, Denis, Börsch-Supan, Axel, Delquié, Philippe, Larichev, Oleg, Morikawa, Taka, Polydoropoulon, Amalia, Rao, Vithala, Louviere, Jordan J, Meyer, Robert J, Bunch, David S, Carson, Richard, Dellaert, Benedict, Hanemann, W Michael, Henscher, David, Irwin, Julie, Wedel, Michel, Kamakura, Wagner, Arora, Neeraj, Bemmaor, Albert, Chiang, Jeongwen, Elrod, Terry, Johnson, Rich, Lenk, Peter, Neslin, Scott, Poulsen, Carsten Stig, Munier, Bertrand, Selten, Reinhard, Bouysson, Denis, Bourgine, Paul, Day, Richard, Harvey, Nigel, Hilton, Denis, Machina, Mark J, Parker, Phil, Sterman, Hon, Weber, Elke, Wernerfelt, Birger, Wensley, Robin, Kivetz, Ran, Baz, Jamil, Briys, Eric, Bronnenberg, Bart J, Cohen, Michéle, Kast, Robert, Viala, Pascale, Wathieu, Lue, Weber, Martin, Wertenbroch, Klaus, West, Patricia M, Ariely, Dan, Bellman, Steve, Bradlow, Eric, Huber, Joel, Johnson, Eric, Kahn, Barbara, Little, John, Schkade, David, Erdem, Tülin, Swait, Joffre, Broniarczyk, Susan, Chakravarti, Dipankar, Kapferer, Jean-Noël, Keane, Michael, Roberts, John, Steenkamp, Jan-Benedict E.M., Zettelmeyer, Florian, Russell, Gary J, Ratneshwar, S, Shocker, Allan D, Bell, David, Bodapati, Anand, Degeratu, Alex, Hildebrand, Lutz, Kim, Namwoon, Rmaswami, S, Shankar, Venkatesh

Volltext