Journal of Cheminformatics ( IF 8.6 ) Pub Date : 2017-09-20 , DOI: 10.1186/s13321-017-0231-1 Egon L Willighagen 1 , John W Mayfield 2 , Jonathan Alvarsson 3 , Arvid Berg 3 , Lars Carlsson 4 , Nina Jeliazkova 5 , Stefan Kuhn 6 , Tomáš Pluskal 7 , Miquel Rojas-Chertó 8 , Ola Spjuth 3 , Gilleain Torrance 9 , Chris T Evelo 1 , Rajarshi Guha 10 , Christoph Steinbeck 11
After publication of this work [1], it was noticed that the graphical abstract was not included as requested.
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- 1.
Willighagen EL, Mayfield JW, Alvarsson J, Berg A, Carlsson L, Jeliazkova N et al (2017) The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J Cheminform 9:33
Affiliations
Department of Bioinformatics - BiGCaT, NUTRIM, Maastricht University, 6200 MD, Maastricht, The Netherlands
Egon L. Willighagen & Chris T. Evelo
NextMove Software Ltd, Cambridge, CB4 0EY, UK
John W. Mayfield
Department of Pharmaceutical Biosciences, Uppsala University, 751 24, Uppsala, Sweden
Jonathan Alvarsson, Arvid Berg & Ola Spjuth
AstraZeneca, Innovative Medicines & Early Development, Quantitative Biology, Möndal, Sweden
Lars Carlsson
Ideaconsult Ltd, A. Kanchev 4, 1000, Sofia, Bulgaria
Nina Jeliazkova
Department of Informatics, University of Leicester, Leicester, UK
Stefan Kuhn
Whitehead Institute for Biomedical Research, 455 Main Street, Cambridge, MA, 02142, USA
Tomáš Pluskal
Química Clínica Aplicada, 43870, Amposta, Spain
Miquel Rojas-Chertó
4 Hanway Place, W1T 1HD, London, UK
Gilleain Torrance
National Center for Advancing Translational Sciences, 9800 Medical Center Drive, Rockville, MD, 20850, USA
Rajarshi Guha
Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller-University, Lessingstr. 8, 07743, Jena, Germany
Christoph Steinbeck
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Correspondence to Egon L. Willighagen.
The online version of the original article can be found under doi:10.1186/s13321-017-0220-4.
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Cite this article
Willighagen, E.L., Mayfield, J.W., Alvarsson, J. et al. Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J Cheminform 9, 53 (2017). https://doi.org/10.1186/s13321-017-0231-1
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中文翻译:
勘误至:化学开发套件(CDK)v2.0:原子类型,描述,分子式和子结构搜索。
在发表这项工作[ 1 ]之后,注意到没有按要求包括图形摘要。
原始文章已得到纠正。
对于已发布地图和机构隶属关系中的管辖权主张,Springer Nature保持中立。
- 1。
Willighagen EL,Mayfield JW,Alvarsson J,Berg A,Carlsson L,Jeliazkova N等人(2017)The Chemistry Development Kit(CDK)v2.0:原子类型,描述,分子式和子结构搜索。化学文摘9:33
隶属关系
马斯特里赫特大学生物信息学系-BiGCaT,NUTRIM,荷兰马斯特里赫特6200 MD
埃贡·L·威利格哈根(Egon L.
NextMove Software Ltd,英国剑桥,CB4 0EY
约翰·W·梅菲尔德
乌普萨拉大学药物生物科学系,751 24,瑞典乌普萨拉
乔纳森·阿尔瓦森(Jonathan Alvarsson),阿文·伯格(Arvid Berg)和奥拉·斯普斯(Ola Spjuth)
阿斯利康,创新药物与早期开发,定量生物学,瑞典蒙达
拉尔斯·卡尔森
Ideaconsult Ltd,A. Kanchev 4,1000,索非亚,保加利亚
妮娜(Nina Jeliazkova)
英国莱斯特大学莱斯特大学信息学系
斯蒂芬·库恩
怀特海生物医学研究所,美国马萨诸塞州剑桥市大街455号,美国02142
汤玛斯·普鲁卡(TomášPluskal)
QuímicaClínicaAplicada,43870,西班牙安波斯塔
米克尔·罗哈斯·切尔托
英国伦敦W1T 1HD汉威广场4号
吉莉安·托兰斯
国家转化科学促进中心,9800 Medical Center Drive,罗克维尔,马里兰州,20850,美国
拉贾西·古哈(Rajarshi Guha)
莱辛施特里德-席勒大学无机与分析化学研究所 8,07743,耶拿,德国
克里斯多夫·斯坦贝克
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通讯作者
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引用本文
Willighagen,EL,Mayfield,JW,Alvarsson,J。等。勘误至:化学开发套件(CDK)v2.0:原子类型,描述,分子式和子结构搜索。ĴCheminform 9, 53(2017)。https://doi.org/10.1186/s13321-017-0231-1
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