E-LIB Suche - Ergebnisse für: Irwin, Benedict

1

Imputation of sensory properties using deep learning:

Mahmoud, Samar ; Irwin, Benedict ; Chekmarev, Dmitriy...
Journal of Computer-Aided Molecular Design. 35 (2021) 11 - p. 1125-1140 , 2021

Link: https://doi.org/10.1007/..

2

Efficiently Differentiating Agonists and Competitive Antago..:

Davolio, Anthony J. ; J. Jankowski, Wojciech ; Várnai, Csilla...
ACS Omega. 8 (2023) 47 - p. 44537-44544 , 2023

Link: https://doi.org/10.1021/..

3

GABA receptor associated protein changes the electrostatic ..:

Irwin, Benedict W. J. ; Wanjura, Clara C. ; Molnar, Daniel...
Proteins: Structure, Function, and Bioinformatics. 90 (2021) 2 - p. 476-484 , 2021

Link: https://doi.org/10.1002/..

4

Deep imputation on large‐scale drug discovery data:

Irwin, Benedict W. J. ; Whitehead, Thomas M. ; Rowland, Scott...
Applied AI Letters. 2 (2021) 3 - p. , 2021

Link: https://doi.org/10.1002/..

5

An Open Drug Discovery Competition: Experimental Validation..:

Tse, Edwin G. ; Aithani, Laksh ; Anderson, Mark...
Journal of Medicinal Chemistry. 64 (2021) 22 - p. 16450-16463 , 2021

Link: https://doi.org/10.1021/..

6

Imputation Versus Prediction: Applications in Machine Learn..:

Irwin, Benedict W J ; Mahmoud, Samar ; Whitehead, Thomas M..
Future Drug Discovery. 2 (2020) 2 - p. , 2020

Link: https://doi.org/10.4155/..

7

Practical Applications of Deep Learning To Impute Heterogen..:

Irwin, Benedict W. J. ; Levell, Julian R. ; Whitehead, Thomas M...
Journal of Chemical Information and Modeling. 60 (2020) 6 - p. 2848-2857 , 2020

Link: https://doi.org/10.1021/..

8

Large-Scale Study of Hydration Environments through Hydrati..:

Irwin, Benedict W. J. ; Vukovic, Sinisa ; Payne, Michael C..
The Journal of Physical Chemistry B. 123 (2019) 19 - p. 4220-4229 , 2019

Link: https://doi.org/10.1021/..

9

Estimating Atomic Contributions to Hydration and Binding Us..:

Irwin, Benedict W. J. ; Huggins, David J.
Journal of Chemical Theory and Computation. 14 (2018) 6 - p. 3218-3227 , 2018

Link: https://doi.org/10.1021/..

10

On the accuracy of one- and two-particle solvation entropie:

Irwin, Benedict W. J. ; Huggins, David J.
The Journal of Chemical Physics. 146 (2017) 19 - p. , 2017

Link: https://doi.org/10.1063/..

11

GABA receptor associated protein changes the electrostatic ..:

Irwin, Benedict ; Wanjura, Clara ; Molnar, Daniel...
info:eu-repo/semantics/altIdentifier/doi/10.1002/prot.26241. , 2021

Link: https://hal.science/hal-..

12

P5_10 Jogging Can Save Your Life:

Lerman, Hannah Natasha ; Irwin, Benedict ; Hicks, Peter
https://journals.le.ac.uk/ojs1/index.php/pst/article/view/2158/2062. , 2013

Link: https://journals.le.ac.u..

13

P5_1 You can fly:

Lerman, Hannah Natasha ; Hicks, Peter ; Irwin, Benedict
https://journals.le.ac.uk/ojs1/index.php/pst/article/view/2127/2031. , 2013

Link: https://journals.le.ac.u..

14

P5_4 Extreme Altitude Wind Power:

Hicks, Peter ; Irwin, Benedict ; Lerman, Hannah
https://journals.le.ac.uk/ojs1/index.php/pst/article/view/2133/2037. , 2013

Link: https://journals.le.ac.u..

15

P5_7 Put a Ring on it:

Hicks, Peter ; Irwin, Benedict ; Lerman, Hannah
https://journals.le.ac.uk/ojs1/index.php/pst/article/view/2136/2040. , 2013

Link: https://journals.le.ac.u..