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AkshatKumar Nigam

stanford university

20H指数
43论文数
2.9K被引数
收录论文 12
发表时间
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AI-enhanced adaptive virtual screening of large libraries for ligand discovery用于配体发现的大型文库的AI增强自适应虚拟筛选
errNature Biotechnology
IF41.7
err2026-09-01
err0
errOAAI
errDomiziana Cecchini; AkshatKumar Nigam; Ming Tang; Joana Reis; Matt Koop; Andrea Gottinger; Callum Robert Nicoll; Yao Wang; Abhilash Jayaraj; Süleyman Selim Çınaroglu˘; Ricarda Törner; Yehor Malets; Minko Gehev; Krishna M. Padmanabha Das; Kelly Churion; Jongwan Kim; Nidhin Thomas; Yong Li; Hyuk-Soo Seo; Sirano Dhe-Paganon; Christopher Secker; Mohammad Haddadnia; Alexander Hasson; Minkai Li; Abhishek Kumar; Roni Levin-Konigsberg; Eun-Bee Choi; Geoffrey I. Shapiro; Huel Cox; Luke Sebastian; Chelsea Braithwaite; Puspalata Bashyal; Dmytro S. Radchenko; Aditya Kumar; Lei Yang; Pierre-Yves Aquilanti; Henry Gabb; Amr Alhossary; Eric O’Neill; Gerhard Wagner; Alán Aspuru-Guzik; Yurii S. Moroz; Charalampos G. Kalodimos; Konstantin Fackeldey; John D. Schuetz; Andrea Mattevi; Haribabu Arthanari; Christoph Gorgulla
err分享
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Allosteric inhibition of tRNA synthetase Gln4 by N-pyrimidinyl- b- thiophenylacrylamides exerts highly selective antifungal activity
errCELL CHEMICAL BIOLOGY
IF7.2
err2024-04-01
err2
errOAAI
errPuumala, Emily; Sychantha, David; Lach, Elizabeth; Reeves, Shawn; Nabeela, Sunna; Fogal, Meea; Nigam, Akshatkumar; Johnson, Jarrod W.; Aspuru-Guzik, Alan; Shapiro, Rebecca S.; Uppuluri, Priya; Kalyaanamoorthy, Subha; Magolan, Jakob; Whitesell, Luke; Robbins, Nicole; Wright, Gerard D.; Cowen, Leah E.
err分享
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Artificial design of organic emitters via a genetic algorithm enhanced by a deep neural network
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err11
errOAAI
errNigam, Akshatkumar; Pollice, Robert; Friederich, Pascal; Aspuru-Guzik, Alan
err分享
err收藏
Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err2
errOAAI
errNigam, Akshatkumar; Hurley, Matthew F. D.; Li, Fengling; Konkolova, Eva; Klima, Martin; Trylcova, Jana; Pollice, Robert; Cinaroglu, Suleyman Selim; Levin-Konigsberg, Roni; Handjaya, Jasemine; Schapira, Matthieu; Chau, Irene; Perveen, Sumera; Ng, Ho-Leung; Kaniskan, H. Umit; Han, Yulin; Singh, Sukrit; Gorgulla, Christoph; Kundaje, Anshul; Jin, Jian; Voelz, Vincent A.; Weber, Jan; Nencka, Radim; Boura, Evzen; Vedadi, Masoud; Aspuru-Guzik, Alan
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Recent advances in the self-referencing embedded strings (SELFIES) library
errDIGITAL DISCOVERY
IF5.6
err2023-01-01
err6
errOAAI
errLo, Alston; Pollice, Robert; Nigam, Akshatkumar; White, Andrew D.; Krenn, Mario; Aspuru-Guzik, Alan
err分享
err收藏
SELFIES and the future of molecular string representations自拍和分子串表示的未来
errPATTERNS
IF7.4
err2022-10-01
err80
errOAAI
errKrenn, Mario; Ai, Qianxiang; Barthel, Senja; Carson, Nessa; Frei, Angelo; Frey, Nathan C.; Friederich, Pascal; Gaudin, Theophile; Gayle, Alberto Alexander; Jablonka, Kevin Maik; Lameiro, Rafael F.; Lemm, Dominik; Lo, Alston; Moosavi, Seyed Mohamad; Napoles-Duarte, Jose Manuel; Nigam, AkshatKumar; Pollice, Robert; Rajan, Kohulan; Schatzschneider, Ulrich; Schwaller, Philippe; Skreta, Marta; Smit, Berend; Strieth-Kalthoff, Felix; Sun, Chong; Tom, Gary; von Rudorff, Guido Falk; Wang, Andrew; White, Andrew D.; Young, Adamo; Yu, Rose; Aspuru-Guzik, Alan
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Curiosity in exploring chemical spaces: intrinsic rewards for molecular reinforcement learning
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2022-07-25
err13
errOAAI
errThiede, Luca A.; Krenn, Mario; Nigam, AkshatKumar; Aspuru-Guzik, Alan
err分享
err收藏
A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-01-12
err146
PREAI
errGensch, Tobias; Gomes, Gabriel dos Passos; Friederich, Pascal; Peters, Ellyn; Gaudin, Theophile; Pollice, Robert; Jorner, Kjell; Nigam, AkshatKumar; Lindner-D'Addario, Michael; Sigman, Matthew S.; Aspuru-Guzik, Alan
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Parallel tempered genetic algorithm guided by deep neural networks for inverse molecular design
errDIGITAL DISCOVERY
IF5.6
err2022-01-01
err32
errOAAI
errNigam, AkshatKumar; Pollice, Robert; Aspuru-Guzik, Alan
err分享
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Assigning confidence to molecular property prediction
errEXPERT OPINION ON DRUG DISCOVERY
IF4.9
err2021-06-15
err38
errOAAI
errNigam, AkshatKumar; Pollice, Robert; Hurley, Matthew F. D.; Hickman, Riley J.; Aldeghi, Matteo; Yoshikawa, Naruki; Chithrananda, Seyone; Voelz, Vincent A.; Aspuru-Guzik, Alan
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err收藏
Data-Driven Strategies for Accelerated Materials Design加速材料设计的数据驱动策略
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2021-02-02
err212
errOAAI
errPollice, Robert; Gomes, Gabriel dos Passos; Aldeghi, Matteo; Hickman, Riley J.; Krenn, Mario; Lavigne, Cyrille; Lindner-D'Addario, Michael; Nigam, AkshatKumar; Ser, Cher Tian; Yao, Zhenpeng; Aspuru-Guzik, Alan
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Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err83
errOAAI
errNigam, AkshatKumar; Pollice, Robert; Krenn, Mario; Gomes, Gabriel dos Passos; Aspuru-Guzik, Alan
err分享
err收藏

研究方向

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合作学者
合作期刊
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Berend Smit
H 指数: 121 · 论文数: 794
G
Gerhard Wagner
H 指数: 119 · 论文数: 958
G
Geoffrey I. Shapiro
H 指数: 115 · 论文数: 2.0K
A
Alán Aspuru‐Guzik
H 指数: 114 · 论文数: 939
M
Matthew S. Sigman
H 指数: 99 · 论文数: 578
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