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Chimia
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December 9, 2023
Automatic Extraction of Reaction Templates for Synthesis Prediction
Amol Thakkar, Jean-Louis Reymond
Chemical Communications (Cambridge, England)
|
August 31, 2018
Modelling uranyl chemistry in liquid ammonia from density functional theory
Nicolas Sieffert, Amol Thakkar, Michael Bühl
Journal of Cheminformatics
|
January 12, 2021
Molecular representations in AI-driven drug discovery: a review and practical guide
Laurianne David, Amol Thakkar, Rocío Mercado, et al.
Chemical Science
|
June 24, 2021
Retrosynthetic accessibility score (RAscore) - rapid machine learned synthesizability classification from AI driven retrosynthetic planning
Amol Thakkar, Veronika Chadimová, Esben Jannik Bjerrum, et al.
Chemical Science
|
February 29, 2020
Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain
Amol Thakkar, Thierry Kogej, Jean-Louis Reymond, et al.
Chimia
|
December 4, 2023
Tools for Synthesis Planning, Automation, and Analytical Data Analysis
Miruna Cretu, Marvin Alberts, Anubhab Chakraborty, et al.
Journal of Medicinal Chemistry
|
May 1, 2020
"Ring Breaker": Neural Network Driven Synthesis Prediction of the Ring System Chemical Space
Amol Thakkar, Nidhal Selmi, Jean-Louis Reymond, et al.
ACS Central Science
|
August 2, 2023
Unbiasing Retrosynthesis Language Models with Disconnection Prompts
Amol Thakkar, Alain C Vaucher, Andrea Byekwaso, et al.
Journal of Cheminformatics
|
December 9, 2020
AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning
Samuel Genheden, Amol Thakkar, Veronika Chadimová, et al.
Drug Discovery Today. Technologies
|
January 2, 2021
AI-assisted synthesis prediction
Simon Johansson, Amol Thakkar, Thierry Kogej, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Chimia
|
December 9, 2023
Automatic Extraction of Reaction Templates for Synthesis Prediction
Amol Thakkar, Jean-Louis Reymond
Chemical Communications (Cambridge, England)
|
August 31, 2018
Modelling uranyl chemistry in liquid ammonia from density functional theory
Nicolas Sieffert, Amol Thakkar, Michael Bühl
Journal of Cheminformatics
|
January 12, 2021
Molecular representations in AI-driven drug discovery: a review and practical guide
Laurianne David, Amol Thakkar, Rocío Mercado, et al.
Chemical Science
|
June 24, 2021
Retrosynthetic accessibility score (RAscore) - rapid machine learned synthesizability classification from AI driven retrosynthetic planning
Amol Thakkar, Veronika Chadimová, Esben Jannik Bjerrum, et al.
Chemical Science
|
February 29, 2020
Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain
Amol Thakkar, Thierry Kogej, Jean-Louis Reymond, et al.
Chimia
|
December 4, 2023
Tools for Synthesis Planning, Automation, and Analytical Data Analysis
Miruna Cretu, Marvin Alberts, Anubhab Chakraborty, et al.
Journal of Medicinal Chemistry
|
May 1, 2020
"Ring Breaker": Neural Network Driven Synthesis Prediction of the Ring System Chemical Space
Amol Thakkar, Nidhal Selmi, Jean-Louis Reymond, et al.
ACS Central Science
|
August 2, 2023
Unbiasing Retrosynthesis Language Models with Disconnection Prompts
Amol Thakkar, Alain C Vaucher, Andrea Byekwaso, et al.
Journal of Cheminformatics
|
December 9, 2020
AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning
Samuel Genheden, Amol Thakkar, Veronika Chadimová, et al.
Drug Discovery Today. Technologies
|
January 2, 2021
AI-assisted synthesis prediction
Simon Johansson, Amol Thakkar, Thierry Kogej, et al.
Page
of 2