E-LIB Suche - Ergebnisse für: Thakkar, Amol

1

Unbiasing Retrosynthesis Language Models with Disconnection..:

Thakkar, Amol ; Vaucher, Alain C. ; Byekwaso, Andrea...
ACS Central Science. 9 (2023) 7 - p. 1488-1498 , 2023

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

2

Tools for Synthesis Planning, Automation, and Analytical Da..:

Cretu, Miruna ; Alberts, Marvin ; Chakraborty, Anubhab...
CHIMIA. 77 (2023) 1/2 - p. 17 , 2023

Link: https://doi.org/10.2533/..

3

Standardizing chemical compounds with language models:

Cretu, Miruna T ; Toniato, Alessandra ; Thakkar, Amol...
Machine Learning: Science and Technology. 4 (2023) 3 - p. 035014 , 2023

Link: https://doi.org/10.1088/..

4

Automatic Extraction of Reaction Templates for Synthesis Pr..:

Thakkar, Amol ; Reymond, Jean-Louis
CHIMIA. 76 (2022) 4 - p. 294 , 2022

Link: https://doi.org/10.2533/..

5

Artificial intelligence and automation in computer aided sy..:

Thakkar, Amol ; Johansson, Simon ; Jorner, Kjell...
Reaction Chemistry & Engineering. 6 (2021) 1 - p. 27-51 , 2021

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

6

Retrosynthetic accessibility score (RAscore) – rapid machin..:

Thakkar, Amol ; Chadimová, Veronika ; Bjerrum, Esben Jannik..
Chemical Science. 12 (2021) 9 - p. 3339-3349 , 2021

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

7

How AI for Synthesis Can Help Tackle Challenges in Molecula..:

Thakkar, Amol ; Schwaller, Philippe
CHIMIA. 75 (2021) 7-8 - p. 677 , 2021

Link: https://doi.org/10.2533/..

8

AiZynthFinder: a fast, robust and flexible open-source soft..:

Genheden, Samuel ; Thakkar, Amol ; Chadimová, Veronika...
Journal of Cheminformatics. 12 (2020) 1 - p. , 2020

Link: https://doi.org/10.1186/..

9

Artificial applicability labels for improving policies in r..:

Bjerrum, Esben Jannik ; Thakkar, Amol ; Engkvist, Ola
Machine Learning: Science and Technology. 2 (2020) 1 - p. 017001 , 2020

Link: https://doi.org/10.1088/..

10

Datasets and their influence on the development of computer..:

Thakkar, Amol ; Kogej, Thierry ; Reymond, Jean-Louis..
Chemical Science. 11 (2020) 1 - p. 154-168 , 2020

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

11

"Ring Breaker": Neural Network Driven Synthesis Prediction ..:

Thakkar, Amol ; Selmi, Nidhal ; Reymond, Jean-Louis..
Journal of Medicinal Chemistry. 63 (2020) 16 - p. 8791-8808 , 2020

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

12

Molecular representations in AI-driven drug discovery: a re..:

David, Laurianne ; Thakkar, Amol ; Mercado, Rocío.
Journal of Cheminformatics. 12 (2020) 1 - p. , 2020

Link: https://doi.org/10.1186/..

13

Neural Network Guided Tree-Search Policies for Synthesis Pl..:

, In: Artificial Neural Networks and Machine Learning – ICANN 2019: Workshop and Special Sessions; Lecture Notes in Computer Science,

Thakkar, Amol ; Bjerrum, Esben Jannik ; Engkvist, Ola. - p. 721-724 , 2019

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

14

AI-assisted synthesis prediction:

Johansson, Simon ; Thakkar, Amol ; Kogej, Thierry...
Drug Discovery Today: Technologies. 32-33 (2019) - p. 65-72 , 2019

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

15

Modelling uranyl chemistry in liquid ammonia from density f..:

Sieffert, Nicolas ; Thakkar, Amol ; Bühl, Michael
Chemical Communications. 54 (2018) 74 - p. 10431-10434 , 2018

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