Amol Thakkar
Amol Thakkar
University of Bern, AstraZeneca, University of St Andrews
Verified email at dcb.unibe.ch
Title
Cited by
Cited by
Year
Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain
A Thakkar, T Kogej, JL Reymond, O Engkvist, EJ Bjerrum
Chemical science 11 (1), 154-168, 2020
242020
Molecular representations in AI-driven drug discovery: a review and practical guide
L David, A Thakkar, R Mercado, O Engkvist
Journal of Cheminformatics 12 (1), 1-22, 2020
212020
AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning
S Genheden, A Thakkar, V Chadimová, JL Reymond, O Engkvist, ...
Journal of cheminformatics 12 (1), 1-9, 2020
162020
“Ring Breaker”: Neural Network Driven Synthesis Prediction of the Ring System Chemical Space
A Thakkar, N Selmi, JL Reymond, O Engkvist, EJ Bjerrum
Journal of medicinal chemistry 63 (16), 8791-8808, 2020
9*2020
AI-assisted synthesis prediction
S Johansson, A Thakkar, T Kogej, E Bjerrum, S Genheden, T Bastys, ...
Drug Discovery Today: Technologies, 2020
72020
Retrosynthetic accessibility score (RAscore)–rapid machine learned synthesizability classification from AI driven retrosynthetic planning
A Thakkar, V Chadimova, EJ Bjerrum, O Engkvist, JL Reymond
Chemical Science 12 (9), 3339-3349, 2021
22021
Artificial intelligence and automation in computer aided synthesis planning
A Thakkar, S Johansson, K Jorner, D Buttar, JL Reymond, O Engkvist
Reaction chemistry & engineering 6 (1), 27-51, 2021
12021
Artificial Applicability Labels for Improving Policies in Retrosynthesis Prediction
EJ Bjerrum, A Thakkar, O Engkvist
Machine Learning: Science and Technology 2 (1), 2020
12020
Levenshtein Augmentation Improves Performance of SMILES Based Deep-Learning Synthesis Prediction
D Sumner, J He, A Thakkar, O Engkvist, EJ Bjerrum
ChemRxiv, 2020
12020
Neural Network Guided Tree-Search Policies for Synthesis Planning
A Thakkar, EJ Bjerrum, O Engkvist, JL Reymond
International Conference on Artificial Neural Networks, 721-724, 2019
12019
Exploring chemical space at gdb. unibe. ch
D Probst, M Awale, A Thakkar, JL Reymond
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
Modelling uranyl chemistry in liquid ammonia from density functional theory
N Sieffert, A Thakkar, M Bühl
Chemical Communications 54 (74), 10431-10434, 2018
2018
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Articles 1–12