E-LIB Suche - Ergebnisse für: Coley, Connor W

1

RDCanon: A Python Package for Canonicalizing the Order of T..:

Mahjour, Babak A. ; Coley, Connor W.
Journal of Chemical Information and Modeling. 64 (2024) 8 - p. 2948-2954 , 2024

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

2

OpenChemIE: An Information Extraction Toolkit for Chemistry..:

Fan, Vincent ; Qian, Yujie ; Wang, Alex...
Journal of Chemical Information and Modeling. , 2024

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

3

Pareto optimization to accelerate multi-objective virtual s..:

Fromer, Jenna C. ; Graff, David E. ; Coley, Connor W.
Digital Discovery. 3 (2024) 3 - p. 467-481 , 2024

Link: https://doi.org/10.1039/..

4

An algorithmic framework for synthetic cost-aware decision ..:

Fromer, Jenna C. ; Coley, Connor W.
Nature Computational Science. 4 (2024) 6 - p. 440-450 , 2024

Link: https://doi.org/10.1038/..

5

A physics-inspired approach to the understanding of molecul..:

Dicks, Luke ; Graff, David E. ; Jordan, Kirk E...
Molecular Systems Design & Engineering. 9 (2024) 5 - p. 449-455 , 2024

Link: https://doi.org/10.1039/..

6

Data-Efficient, Chemistry-Aware Machine Learning Prediction..:

Keto, Angus ; Guo, Taicheng ; Underdue, Morgan...
Journal of the American Chemical Society. 146 (2024) 23 - p. 16052-16061 , 2024

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

7

Incorporating Synthetic Accessibility in Drug Design: Predi..:

Raghavan, Priyanka ; Rago, Alexander J. ; Verma, Pritha...
Journal of the American Chemical Society. 146 (2024) 22 - p. 15070-15084 , 2024

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

8

Automation of air-free synthesis:

Mahjour, Babak A. ; Coley, Connor W.
Nature Reviews Chemistry. 8 (2024) 5 - p. 300-301 , 2024

Link: https://doi.org/10.1038/..

9

The promise and pitfalls of AI for molecular and materials ..:

David, Nicholas ; Sun, Wenhao ; Coley, Connor W.
Nature Computational Science. 3 (2023) 5 - p. 362-364 , 2023

Link: https://doi.org/10.1038/..

10

Machine Learning‐Guided Computational Screening of New Cand..:

Stuyver, Thijs ; Coley, Connor W.
Chemistry – A European Journal. 29 (2023) 28 - p. , 2023

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

11

Diversity-oriented synthesis encoded by deoxyoligonucleotid..:

Hudson, Liam ; Mason, Jeremy W. ; Westphal, Matthias V....
Nature Communications. 14 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

12

Artificial Intelligence for Retrosynthesis Prediction:

Jiang, Yinjie ; Yu, Yemin ; Kong, Ming...
Engineering. 25 (2023) - p. 32-50 , 2023

Link: https://doi.org/10.1016/..

13

Dataset Design for Building Models of Chemical Reactivity:

Raghavan, Priyanka ; Haas, Brittany C. ; Ruos, Madeline E....
ACS Central Science. 9 (2023) 12 - p. 2196-2204 , 2023

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

14

DNA-encoded library-enabled discovery of proximity-inducing..:

Mason, Jeremy W. ; Chow, Yuen Ting ; Hudson, Liam...
Nature Chemical Biology. 20 (2023) 2 - p. 170-179 , 2023

Link: https://doi.org/10.1038/..

15

A Computationally Informed Unified View on the Effect of Po..:

Jin, Tianyi ; Coley, Connor W. ; Alexander-Katz, Alfredo
ACS Macro Letters. , 2023

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