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Amol Thakkar

universite grenoble alpes (uga)

12H指数
47论文数
1.7K被引数
收录论文 13
发表时间
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Correction to “Exploring Simple Drug Scaffolds from the GDB Chemical Space Reveals a Chiral Bicyclic Azepane with Potent Neuropharmacology”勘误“从GDB化学空间探索简单药物骨架揭示了一种具有强效神经药理作用的手性双环氮杂环庚烷”
errJournal of Medicinal Chemistry
IF6.8
err2026-04-21
err0
errOAAI
errAline Carrel; Adonis Yiannakas; Jaap-Jan Roukens; Ines Reynoso-Moreno; Markus Orsi; Amol Thakkar; Josep Arus-Pous; Daniele Pellegata; Jürg Gertsch; Jean-Louis Reymond
err分享
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Exploring Simple Drug Scaffolds from the Generated Database Chemical Space Reveals a Chiral Bicyclic Azepane with Potent Neuropharmacology从生成的数据库化学空间中探索简单药物骨架，揭示了一种具有强效神经药理活性的手性双环氮杂环庚烷。
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2025-04-24
err1
PREAI
errCarrel, Aline; Yiannakas, Adonis; Roukens, Jaap-Jan; Reynoso-Moreno, Ines; Orsi, Markus; Thakkar, Amol; Arus-Pous, Josep; Pellegata, Daniele; Gertsch, Jurg
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Activity recognition in scientific experimentation using multimodal visual encoding
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errGabrieli, Gianmarco; Espejo Morales, Irina; Christofidellis, Dimitrios; Graziani, Mara; Giovannini, Andrea; Zipoli, Federico; Thakkar, Amol; Foncubierta, Antonio; Manica, Matteo; Ruch, Patrick W.
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Standardizing chemical compounds with language models用语言模型标准化化合物
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-08-08
err1
errOAAI
errCretu, Miruna T.; Toniato, Alessandra; Thakkar, Amol; Debabeche, Amin A.; Laino, Teodoro; Vaucher, Alain C.
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Unbiasing Retrosynthesis Language Models with Disconnection Prompts
errACS CENTRAL SCIENCE
IF10.4
err2023-07-05
err10
errOAAI
errThakkar, Amol; Vaucher, Alain C. C.; Byekwaso, Andrea; Schwaller, Philippe; Toniato, Alessandra; Laino, Teodoro
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Artificial intelligence and automation in computer aided synthesis planning
errReaction Chemistry & Engineering
IF3.1
err2021-01-01
err51
PREAI
errThakkar, Amol; Johansson, Simon; Jorner, Kjell; Buttar, David; Reymond, Jean-Louis; Engkvist, Ola
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Retrosynthetic accessibility score (RAscore) - rapid machine learned synthesizability classification from AI driven retrosynthetic planning
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err82
errOAAI
errThakkar, Amol; Chadimova, Veronika; Bjerrum, Esben Jannik; Engkvist, Ola; Reymond, Jean-Louis
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Artificial applicability labels for improving policies in retrosynthesis prediction
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2020-12-24
err2
errOAAI
errBjerrum, Esben Jannik; Thakkar, Amol; Engkvist, Ola
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AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2020-11-17
err182
errOAAI
errGenheden, Samuel; Thakkar, Amol; Chadimova, Veronika; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben
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Molecular representations in AI-driven drug discovery: a review and practical guideAI驱动的药物发现中的分子表征: 回顾和实用指南
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2020-09-17
err308
errOAAI
errDavid, Laurianne; Thakkar, Amol; Mercado, Rocio; Engkvist, Ola
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Ring Breaker: Neural Network Driven Synthesis Prediction of the Ring System Chemical Space
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2020-04-30
err18
errOAAI
errThakkar, Amol; Selmi, Nidhal; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben Jannik
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Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain
errCHEMICAL SCIENCE
IF7.4
err2020-01-01
err90
errOAAI
errThakkar, Amol; Kogej, Thierry; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben Jannik
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Modelling uranyl chemistry in liquid ammonia from density functional theory
errCHEMICAL COMMUNICATIONS
IF4.2
err2018-01-01
err1
errOAAI
errSieffert, Nicolas; Thakkar, Amol; Buhl, Michael
err分享
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研究方向

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合作学者
合作期刊
J
Jean‐Louis Reymond
H 指数: 76 · 论文数: 738
J
Jürg Gertsch
H 指数: 56 · 论文数: 312
O
Ola Engkvist
H 指数: 55 · 论文数: 429
M
Michæl Bühl
H 指数: 52 · 论文数: 821
T
Teodoro Laino
H 指数: 39 · 论文数: 211
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