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| 1 | Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning显示文摘Computational study of molecules and materials from first principles is a cornerstone of physics,chemistry,and materials science,but limited by the cost of accurate and precise simulations.In settings involving many simulations,machine learning can reduce these costs,often by orders of magnitude,by interpolating between reference simulations.This requires representations that describe any molecule or material and support interpolation.We comprehensively review and discuss current representations and relations between them.For selected state-of-the-art representations,we compare energy predictions for organic molecules,binary alloys,and Al–Ga–In sesquioxides in numerical experiments controlled for data distribution,regression method,and hyper-parameter optimization. | Marcel F.Langer Alex Goeßmann Matthias Rupp | 2022 | npj Computational Materials2022，，1： | 5 |
| 2 | Pesticide residues in cashew apple, guava, kaki and peach: GC–μECD, GC–FPD and LC–MS/MS multiresidue method validation, analysis and cumulative acute risk assessment显示文摘 | Andréia Nunes Oliveira Jardim Denise Carvalho Mello Fernanda Caroline Silva Goes Elcio Ferreira Frota Eloisa Dutra Caldas | 2014 | Food Chemistry2014，，： | 2 |
| 3 | Interorganizational links and innovation:the case of hospital service显示文摘 | Goes J B Park S H | 1997 | Academy of Management Journal1997，40，2： | 1 |
| 4 | Environmental jolts and industry revolutions: Organizational responses to discontinuous change显示文摘 | Meyer A D Brook G Goes J B | 1990 | Strategic Management Journal1990，11，： | 1 |
| 5 | Testicular growth,sperm concentration,percent motility,and pregnancy outcome after varicocelectomy based on testicular histology显示文摘 | Pasqualotto FF Lucon AM de Goes PM | 2005 | Fertil Steril2005，83，2： | 1 |
| 6 | Influence of protecting agents on the solubility of glass ionomers显示文摘 | Carcia RC Goes MF Cury AA | 1995 | Am J Dent1995，8，6： | 1 |
| 7 | Influence of loading types on the shear strength of the dentin-resin inter- face bonding显示文摘 | Sinhoreti MA Consani S De Goes MF | 2001 | J Mater Sci Mater Med2001，12，1： | 1 |
| 8 | New geological framework for Western Amazonia(Brazil) and implications for biogeography and evolution 显示文摘 | Dilce de Fa tima Rossetti Peter Mann de Toledo Ana Maria Goes | 2005 | Quaternary Research2005，63，2： | 1 |
| 9 | Interorganizational links and innovation: the case of hospital services显示文摘 | GOES J PARK S H | 1997 | Academy of Managment Journal1997，40，3： | 1 |
| 10 | An examination of the relationship between cor- porate spatial organization, restructuring and external con- tracting of producer services within a metropolitan region 显示文摘 | GOE W R | 1996 | Urban Affairs Review1996，，6： | 1 |
| 11 | “Popularity Effect” in User-Generated Content: Evidence from Online Product Reviews显示文摘 | Paulo B. Goes Mingfeng Lin Ching-man Au Yeung | 2014 | Information Systems Research2014，，2： | 1 |
| 12 | Reactive oxygen species enhance the migration of monoeytes across the blood brain barrier in vitro显示文摘 | Wouters D Van Der Pol SM | 2001 | FA SEB J2001，15，10： | 1 |
| 13 | Organizational assimilation of innovations:a multilevel contextual ananlysis显示文摘 | Meyer Alan D Goes James B | 1988 | Academy of Management Journal1988，31，4： | 1 |
| 14 | Ananaly tical investigation of the mechanics of spinal instrumentation显示文摘 | Goe V K Kim Y E Lim T H | 1988 | Spine1988，13，9： | 1 |
| 15 | Influence of morphology on in vitro compatibility of bioactive glasses显示文摘 | ANDRADE A VALERIO P GOES A M | 2006 | J Non-Cryst Solids2006，352，： | 1 |
| 16 | 难治性类风湿关节炎的临床特点:一项国际问卷调查研究显示文摘目的尽管按照目前欧洲抗风湿联盟(EULAR)的推荐对类风湿关节炎(rheumatoid arthritis,RA)患者进行治疗,难治性RA患者的临床症状却仍然没有得到完全控制,目前EULAR指南主要关注的是RA的早期治疗和药物治疗。本研究的目的在于分析难治性RA患者的临床特点,以及在患者管理中需要探索然而现有EULAR指南并未涉及的问题。方法对多个国家的风湿科医生进行问卷调查,分析难治性RA的临床特点。问卷包括多选题以及开放性问题,从开放性问题的回答中发现需要进一步阐明的问题以及现有EULAR指南需要增加的内容。结果410名受访者完成了调查问卷,关于难治性RA的特点:50%受访者认为基于28个关节评估的疾病活动评分(disease activity score assessing 28 joints,DAS28)>3.2或存在疾病活动的征象;42%受访者认为疲劳是其特点;48%认为至少两种传统合成改变病情抗风湿药(DMARDs)以及使用至少两种生物制剂或靶向合成DMARDs治疗失败;89%认为糖皮质激素不能减量到5 mg/天或泼尼松不能减量到10 mg/天或同等剂量的其他激素。另外,现有EULAR指南中应增加合并症和关节外表现的干预以及多种药物联合治疗等重要内容。结论目前风湿科医生对难治性RA的定义有很大争议。难治性RA患者的很多重要问题目前EULAR指南中均没有涉及。 | Nadia MT Roodenrijs Maria J H de Hair Marlies C van der Goes Johannes WG Jacobs Paco MJ Welsing Désirée van der Heijde Daniel Aletaha Maxime Dougados Kimme L Hyrich Iain B McInnes Ulf Mueller-Ladner Ladislav Senolt Zoltan Szekanecz Jacob Mvan Laar Nagy Gyorgy 黄艳荣(译) 张卓莉(审校) | 2019 | 英国医学杂志中文版2019，22，2： | 1 |
| 17 | Computerized analysis of smooth muscle fibers in potent and impotent patients 显示文摘 | Wespes E Goes PM Schiffmann S | 1991 | J Urol1991，146，4： | 1 |
| 18 | The 'injury response':A concept linking nonspecific injury,acute rejection,and long-term transplant outcomes显示文摘 | Halloran PF Homik J Goes N | 1997 | Transplant Proc1997，29，： | 1 |
| 19 | Dynamic models of downgoing plate-buoyancy driven subduction: Subduction motions and energy dissipation 显示文摘 | Capitanio F A Morra G Goes S | 2007 | Earth and Planetary Science Letters2007，262，： | 1 |
| 20 | Prevalence andpredictors of pulmonary embolism in patients with acutely decompensated heart failure显示文摘 | Correia LC Goes C Ribeiro H | 2012 | Arq Bras Cardiol2012，98，2： | 1 |
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