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Andrew Dickson White

futurehouse

37H指数
298论文数
6.2K被引数
收录论文 53
发表时间
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Looking back and to the future after four-plus years of language in chemistry四余载化学语言回顾与展望
errDigital Discovery
IF5.6
err2026-04-17
err0
errOAAI
errGlen M. Hocky; Andrew D. White
err分享
err收藏
MDCrow: automating molecular dynamics workflows with large language modelsMDCrow：使用大型语言模型自动化分子动力学工作流程
errmachine learning: science and technology
IF0
err2026-03-30
err0
errOAAI
errQuintina Campbell; Sam Cox; Jorge Medina; Brittany Watterson; Andrew D White
err分享
err收藏
A Mu-Opioid Receptor Positive Allosteric Modulator Provides Opioid-Sparing Antinociception Without Enhancing Opioid Side-Effectsμ-阿片受体正性别构调节剂在提供阿片类镇痛作用的同时，不增强阿片类药物的副作用。
errthe journal of pharmacology and experimental therapeutics
IF0
err2026-02-18
err0
PREAI
errKelsey E. Kochan; Benjamin M. Clements; Thomas D. Prince; Catherine Demery; Andrew D. White; Erica S. Levitt; John R. Traynor
err分享
err收藏
PLUMED Tutorials: A collaborative, community-driven learning ecosystemPLUMED教程: 一个协作的，社区驱动的学习生态系统
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-07
err1
PREAI
errTribello, Gareth A.; Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Armstrong, Blake I.; Arsiccio, Andrea; Aureli, Simone; Ballabio, Federico; Bernetti, Mattia; Bonati, Luigi; Brookes, Samuel G. H.; Brotzakis, Z. Faidon; Capelli, Riccardo; Ceriotti, Michele; Chan, Kam-Tung; Cossio, Pilar; Dasetty, Siva; Donadio, Davide; Ensing, Bernd; Ferguson, Andrew L.; Fraux, Guillaume; Gale, Julian D.; Gervasio, Francesco Luigi; Giorgino, Toni; Herringer, Nicholas S. M.; Hocky, Glen M.; Hoff, Samuel E.; Invernizzi, Michele; Languin-Cattoen, Olivier; Leone, Vanessa; Limongelli, Vittorio; Lopez-Acevedo, Olga; Marinelli, Fabrizio; Febrer Martinez, Pedro; Masetti, Matteo; Mehdi, Shams; Michaelides, Angelos; Murtada, Mhd Hussein; Parrinello, Michele; Piaggi, Pablo M.; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Pritchard, Claire; Raiteri, Paolo; Raniolo, Stefano; Rapetti, Daniele; Rizzi, Valerio; Rydzewski, Jakub; Salvalaglio, Matteo; Schran, Christoph; Seal, Aniruddha; Shayesteh Zadeh, Armin; Silva, Tomas F. D.; Spiwok, Vojtech; Stirnemann, Guillaume; Sucerquia, Daniel; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew D.; Wu, Jiangbo
err分享
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Bioactive sucralfate-based microneedles promote wound healing through reprogramming macrophages and protecting endogenous growth factors基于硫糖铝的生物活性微针通过重编程巨噬细胞和保护内源性生长因子促进伤口愈合
errBIOMATERIALS
IF12.9
err2024-12-01
err7
PREAI
errLe, Zhicheng; Ramos, Mayk Caldas; Shou, Yufeng; Li, Renee R.; Cheng, Hong Sheng; Jang, Clarisse J. M.; Liu, Ling; Xue, Chencheng; Li, Xianlei; Liu, Hong; Lim, Chwee Teck; Tan, Nguan Soon; White, Andrew D.; Charles, Christopher John; Chen, Yongming; Liu, Zhijia; Tay, Andy
err分享
err收藏
Augmenting large language models with chemistry tools用化学工具扩充大型语言模型
errNATURE MACHINE INTELLIGENCE
IF23.9
err2024-05-08
err44
errOAAI
errBran, Andres M.; Cox, Sam; Schilter, Oliver; Baldassari, Carlo; White, Andrew D.; Schwaller, Philippe
err分享
err收藏
Predicting small molecules solubility on endpoint devices using deep ensemble neural networks (vol 3, pg 786, 2024)
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err0
errOAAI
errRamos, Mayk Caldas; White, Andrew D.
err分享
err收藏
Learning peptide properties with positive examples only
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err3
errOAAI
errAnsari, Mehrad; White, Andrew D.
err分享
err收藏
Predicting small molecules solubility on endpoint devices using deep ensemble neural networks
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err1
errOAAI
errRamos, Mayk Caldas; White, Andrew D.
err分享
err收藏
Bloom filters for molecules
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2023-10-12
err2
errOAAI
errMedina, Jorge; White, Andrew D.
err分享
err收藏
Neural potentials of proteins extrapolate beyond training data
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-08-29
err5
errOAAI
errWellawatte, Geemi P.; Hocky, Glen M.; White, Andrew D.
err分享
err收藏
The future of chemistry is language化学的未来是语言
errNATURE REVIEWS CHEMISTRY
IF51.7
err2023-05-19
err29
PREAI
errWhite, Andrew D.
err分享
err收藏
Ccr2+monocyte derived macrophages influence trajectories of acquired therapy resistance in BRAF-mutant melanoma
errCANCER RESEARCH
IF16.6
err2023-04-04
err0
PREAI
errKim, Dahihm; An, Luye; Moon, Jiwon; White, Andrew
err分享
err收藏
Serverless Prediction of Peptide Properties with Recurrent Neural Networks
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-04-03
err21
errOAAI
errAnsari, Mehrad; White, Andrew D.
err分享
err收藏
A Perspective on Explanations of Molecular Prediction Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-03-27
err34
errOAAI
errWellawatte, Geemi P.; Gandhi, Heta A.; Seshadri, Aditi; White, Andrew D.
err分享
err收藏
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
errDigital Discovery
IF5.6
err2023-01-01
err55
errOAAI
errJablonka, Kevin Maik; Ai, Qianxiang; Al-Feghali, Alexander; Badhwar, Shruti; Bocarsly, Joshua D.; Bran, Andres M.; Bringuier, Stefan; Brinson, L. Catherine; Choudhary, Kamal; Circi, Defne; Cox, Sam; de Jong, Wibe A.; Evans, Matthew L.; Gastellu, Nicolas; Genzling, Jerome; Gil, Maria Victoria; Gupta, Ankur K.; Hong, Zhi; Imran, Alishba; Kruschwitz, Sabine; Labarre, Anne; Lala, Jakub; Liu, Tao; Ma, Steven; Majumdar, Sauradeep; Merz, Garrett W.; Moitessier, Nicolas; Moubarak, Elias; Mourino, Beatriz; Pelkie, Brenden; Pieler, Michael; Ramos, Mayk Caldas; Rankovic, Bojana; Rodriques, Samuel G.; Sanders, Jacob N.; Schwaller, Philippe; Schwarting, Marcus; Shi, Jiale; Smit, Berend; Smith, Ben E.; Van Herck, Joren; Voelker, Christoph; Ward, Logan; Warren, Sean; Weiser, Benjamin; Zhang, Sylvester; Zhang, Xiaoqi; Zia, Ghezal Ahmad; Scourtas, Aristana; Schmidt, K. J.; Foster, Ian; White, Andrew D.; Blaiszik, Ben
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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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Symmetric Molecular Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-06-14
err2
errOAAI
errCox, Sam; White, Andrew D.
err分享
err收藏
Federated learning of molecular properties with graph neural networks in a heterogeneous setting
errPATTERNS
IF7.4
err2022-06-01
err14
errOAAI
errZhu, Wei; Luo, Jiebo; White, Andrew D.
err分享
err收藏

研究方向

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合作期刊
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Michele Parrinello
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Jason D. Morrow
H 指数: 125 · 论文数: 722
I
Ian Foster
H 指数: 124 · 论文数: 1.4K
C
Chwee Teck Lim
H 指数: 123 · 论文数: 764
B
Berend Smit
H 指数: 121 · 论文数: 794
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