Molecular representations in AI-driven drug discovery: a review and practical guide

por David, Laurianne, Thakkar, Amol, Mercado, Rocío, Engkvist, Ola
Publicado 2020

Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain

por Thakkar, Amol, Kogej, Thierry, Reymond, Jean-Louis, Engkvist, Ola, Bjerrum, Esben Jannik
Publicado 2019

Retrosynthetic accessibility score (RAscore) – rapid machine learned synthesizability classification from AI driven retrosynthetic planning

por Thakkar, Amol, Chadimová, Veronika, Bjerrum, Esben Jannik, Engkvist, Ola, Reymond, Jean-Louis
Publicado 2021

Unbiasing Retrosynthesis Language Models with Disconnection Prompts

por Thakkar, Amol, Vaucher, Alain C., Byekwaso, Andrea, Schwaller, Philippe, Toniato, Alessandra, Laino, Teodoro
Publicado 2023

AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning

por Genheden, Samuel, Thakkar, Amol, Chadimová, Veronika, Reymond, Jean-Louis, Engkvist, Ola, Bjerrum, Esben
Publicado 2020