%PDF-1.6
%
1 0 obj
<>
endobj
2 0 obj
<>stream
2020-03-04T11:56:59+05:30
Springer
2020-03-18T14:32:47+01:00
2020-03-18T14:32:47+01:00
Acrobat Distiller 10.1.8 (Windows); modified using iText® 5.3.5 ©2000-2012 1T3XT BVBA (SPRINGER SBM; licensed version)
Deep learning,Toxicity,Imbalanced learning,Upsampling
application/pdf
https://doi.org/10.1186/s13321-020-00420-z
Springer International Publishing
Journal of Cheminformatics, https://doi.org/10.1186/s13321-020-00420-z
Deep learning
Toxicity
Imbalanced learning
Upsampling
COVER: conformational oversampling as data augmentation for molecules
Jennifer Hemmerich
Ece Asilar
Gerhard F. Ecker
10.1186/s13321-020-00420-z
2010-04-23
true
springer.com
springerlink.com
https://doi.org/10.1186/s13321-020-00420-z
10.1186/s13321-020-00420-z
1758-2946
journal
Journal of Cheminformatics
The Author(s)
2010-04-23
true
10.1186/s13321-020-00420-z
noindex
springer.com
springerlink.com
VoR
uuid:7e71777a-5654-48ed-983c-0438910825a0
uuid:76150288-3050-4d05-937d-1df08ceefd5c
default
1
converted
uuid:8ed0d012-ab20-418e-8225-b6afa05a2037
converted to PDF/A-2b
pdfToolbox
2020-03-04T11:58:47+05:30
2
B
Jennifer Hemmerich
http://orcid.org/0000-0003-0372-8956
Ece Asilar
http://orcid.org/0000-0001-5680-599X
Gerhard F. Ecker
http://orcid.org/0000-0003-4209-6883
http://ns.adobe.com/pdfx/1.3/
pdfx
Adobe Document Info PDF eXtension Schema
external
Mirrors crossmark:MajorVersionDate
CrossmarkMajorVersionDate
Text
external
Mirrors crossmark:CrossmarkDomainExclusive
CrossmarkDomainExclusive
Text
internal
Mirrors crossmark:DOI
doi
Text
external
Mirrors crossmark:CrosMarkDomains
CrossMarkDomains
seq Text
internal
A name object indicating whether the document has been modified to include trapping information
robots
Text
internal
ID of PDF/X standard
GTS_PDFXVersion
Text
internal
Conformance level of PDF/X standard
GTS_PDFXConformance
Text
internal
Company creating the PDF
Company
Text
internal
Date when document was last modified
SourceModified
Text
http://crossref.org/crossmark/1.0/
crossmark
Crossmark Schema
internal
Usual same as prism:doi
DOI
Text
external
The date when a publication was publishe.
MajorVersionDate
Text
internal
CrossmarkDomainExclusive
CrossmarkDomainExclusive
Text
internal
CrossMarkDomains
CrossMarkDomains
seq Text
http://prismstandard.org/namespaces/basic/2.0/
prism
Prism Schema
external
This element provides the url for an article or unit of content. The attribute platform is optionally allowed for situations in which multiple URLs must be specified. PRISM recommends that a subset of the PCV platform values, namely “mobile” and “web”, be used in conjunction with this element. NOTE: PRISM recommends against the use of the #other value allowed in the PRISM Platform controlled vocabulary. In lieu of using #other please reach out to the PRISM group at prism-wg@yahoogroups.com to request addition of your term to the Platform Controlled Vocabulary.
url
URI
external
The Digital Object Identifier for the article. The DOI may also be used as the dc:identifier. If used as a dc:identifier, the URI form should be captured, and the bare identifier should also be captured using prism:doi. If an alternate unique identifier is used as the required dc:identifier, then the DOI should be specified as a bare identifier within prism:doi only. If the URL associated with a DOI is to be specified, then prism:url may be used in conjunction with prism:doi in order to provide the service endpoint (i.e. the URL).
doi
Text
external
ISSN for an electronic version of the issue in which the resource occurs. Permits publishers to include a second ISSN, identifying an electronic version of the issue in which the resource occurs (therefore e(lectronic)Issn. If used, prism:eIssn MUST contain the ISSN of the electronic version.
issn
Text
internal
Volume number
volume
Text
internal
Issue number
number
Text
internal
Starting page
startingPage
Text
internal
Ending page
endingPage
Text
external
The aggregation type specifies the unit of aggregation for a content collection. Comment PRISM recommends that the PRISM Aggregation Type Controlled Vocabulary be used to provide values for this element. Note: PRISM recommends against the use of the #other value currently allowed in this controlled vocabulary. In lieu of using #other please reach out to the PRISM group at info@prismstandard.org to request addition of your term to the Aggregation Type Controlled Vocabulary.
aggregationType
Text
external
Title of the magazine, or other publication, in which a resource was/will be published. Typically this will be used to provide the name of the magazine an article appeared in as metadata for the article, along with information such as the article title, the publisher, volume, number, and cover date. Note: Publication name can be used to differentiate between a print magazine and the online version if the names are different such as “magazine” and “magazine.com.”
publicationName
Text
external
Copyright
copyright
Text
http://ns.adobe.com/pdf/1.3/
pdf
Adobe PDF Schema
internal
A name object indicating whether the document has been modified to include trapping information
Trapped
Text
http://ns.adobe.com/xap/1.0/mm/
xmpMM
XMP Media Management Schema
internal
UUID based identifier for specific incarnation of a document
InstanceID
URI
internal
The common identifier for all versions and renditions of a document.
DocumentID
URI
internal
The common identifier for all versions and renditions of a document.
OriginalDocumentID
URI
internal
A reference to the original document from which this one is derived. It is a minimal reference; missing components can be assumed to be unchanged. For example, a new version might only need to specify the instance ID and version number of the previous version, or a rendition might only need to specify the instance ID and rendition class of the original.
DerivedFrom
ResourceRef
Identifies a portion of a document. This can be a position at which the document has been changed since the most recent event history (stEvt:changed). For a resource within an xmpMM:Ingredients list, the ResourceRef uses this type to identify both the portion of the containing document that refers to the resource, and the portion of the referenced resource that is referenced.
http://ns.adobe.com/xap/1.0/sType/Part#
stPart
Part
http://www.aiim.org/pdfa/ns/id/
pdfaid
PDF/A ID Schema
internal
Part of PDF/A standard
part
Integer
internal
Amendment of PDF/A standard
amd
Text
internal
Conformance level of PDF/A standard
conformance
Text
Springer Nature ORCID Schema
http://springernature.com/ns/xmpExtensions/2.0/
sn
authorInfo
Bag AuthorInformation
external
Author information: contains the name of each author and his/her ORCiD (ORCiD: Open Researcher and Contributor ID). An ORCiD is a persistent identifier (a non-proprietary alphanumeric code) to uniquely identify scientific and other academic authors.
AuthorInformation
http://springernature.com/ns/xmpExtensions/2.0/authorInfo/
author
Specifies the types of author information: name and ORCID of an author.
name
Text
Gives the name of an author.
orcid
URI
Gives the ORCID of an author.
http://www.niso.org/schemas/jav/1.0/
jav
NISO
external
Values for Journal Article Version are one of the following:
AO = Author’s Original
SMUR = Submitted Manuscript Under Review
AM = Accepted Manuscript
P = Proof
VoR = Version of Record
CVoR = Corrected Version of Record
EVoR = Enhanced Version of Record
journal_article_version
Closed Choice of Text
endstream
endobj
3 0 obj
<>
endobj
7 0 obj
[9 0 R 10 0 R 11 0 R 12 0 R 13 0 R 14 0 R 15 0 R 16 0 R 17 0 R 18 0 R 19 0 R 20 0 R 21 0 R 22 0 R 23 0 R]
endobj
9 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR13:99)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[251.038 680.391 260.877 668.224]>>
endobj
10 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR14:101)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[166.351 620.391 176.191 608.224]>>
endobj
11 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR15:103)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[59.8876 560.391 69.7268 548.224]>>
endobj
12 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR17:107)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[75.6557 560.391 85.4949 548.224]>>
endobj
13 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR18:109)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[244.302 548.391 254.141 536.224]>>
endobj
14 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR21:114)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[260.07 548.391 269.909 536.224]>>
endobj
15 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR22:116)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[260.873 428.391 270.712 416.224]>>
endobj
16 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR23:118)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[275.283 428.391 285.122 416.224]>>
endobj
17 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR24:120)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[261.773 380.391 271.612 368.224]>>
endobj
18 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR25:122)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[275.283 212.391 285.122 200.224]>>
endobj
19 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:Tab2:56)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[124.302 80.3906 129.222 68.2239]>>
endobj
20 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR26:124)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[369.079 488.391 378.918 476.224]>>
endobj
21 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:Fig1:32)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[493.578 416.391 498.497 404.224]>>
endobj
22 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:Fig2:34)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[392.359 272.391 397.279 260.224]>>
endobj
23 0 obj
<>/Subtype/Link/Dest(13321_2020_420_Article.indd:CR27:126)/F 4/Type/Annot/H/N/Border[0 0 0]/AP<>/Rect[489.303 164.391 499.142 152.224]>>
endobj
6 0 obj
<>/ProcSet[/PDF/Text]/Font<>/XObject<>>>
endobj
4 0 obj
<>stream
x\r֕GHMT)N w{I[3US%E$ syra!i;)[ܳ;Rot7#.HMI+UVaUyqyFq-J>,)S}Vq2ݟnye\UU*\ݭoY<ҥ̘yԇ,PI}MmSDIiOC\*Peݟozw܀tS,7/¢J*+UQaTFEȲ8˃lyԳyeqtYfEyqpu -𣎾.YԨ-pѕz6UW|XOJu-⸊ |vw. :~8u~Vz"XxH)ec?x(%NpU`dH2¸ρ35[~!7l6#G G3z?^5_QoZ-&t6}F;iZ:r\mݲiRЃ(wj/W(I'2⼁@$0$]8pȲUK00FX8T_"Bښk#ʃV68RV_hQVWV^U}e骆ἤutݮ_̥ Dys-@0DB}tyx}̳TVLrյĵZn#UTL O=Ԥd홚
%OAOtվYա2I ˸01˗$cK1&xޚFO l \3Arj"ؒP'03Mɨy`ېnnH$IYN5n)!^,b8by%QP9PE%|4|1BEj+ Bј]h6 QI=9xEDWW]Ock8GKJKTiꟴ@!o3Y"%Xl6wb]$&fccؗlH1$z7yQ0V$D-$z儇zx@]RӪ7z]Jd$H`76b?*s*nH j8.J!{V]#9&
@[;=[<+fbg{1*e
nbQԶES'&Dߨ;jMW:WN>N hϥ{<+80wArG jjOTY~+z$vmEnE봔Fh6*I]0v^AJ]gT;#`\d7kBJJ)qNwN?';=V:㸽4*hS#J\qÄ C'=9ߡ̉=嶏k`Ouir n\~Yo 1{9V?48Q3Tp9ظ'xU+I4ᧀǂdYPFˇ\$"]r6*:)tʶhVŌTj=)|cne p G'i(RA)":6DZv
W9znF]wfQ:ЭJ7uǃ⃟Q΄Gx
@*F;!F%x2AE^p8yɭ\OAXhCm+|7oxd-㵀\7Փ 66 èٿ
/Еňu!`uD7{3:T7;k(m/P_aH$1$nW,B0bO3)'OU\=Ga@kK3 H(s!_R8%$w#=>aI tU1o!,U ;sEUܒrG`֫} 0!xڭC^QBC*{ۥ\'bɍr0ɲm|C
Fry;
-l@Rիsl؆ǹxB{>.],Fs,Q濫C/*Ӆ{Ahw)(Lɯ߱~Ko- vʨ7W#tUtՁ>^fd/
.sv3d(?P2h~on&QļnGX1AO
^?϶$lmQc9Ov:#~!YBxe8z'i'-D=Rzi痊eTZ`ǭp; Rgv<}~>,P;>/ Uk7 !}KW;LtM#O4QRma#yĀ)Mkö@UM;F-*Ծ+z.Ȱi4_t?qƝ)w%OAo3dMi,C8f`ʯ^El9i8ShrdthuՌ-54HA'$t)g<5=$$Kϐ.k?1҃?z?Ȧk*"'Γ<&-eГDMΚzIaZttMBxr0AV_5-ǣ,IQpɭҘL=SyCNw
JgÜƤK;c7*FYD
"
Em_\b&uC9lLm>ڏѫvWiEU:u3{ QSAY$QpoJQ.,Eb1Z!趪cZRQNs;I-cƹe{V v
9SǙb,hAa0yvٟd^e<S;
\ }VB` O,ќֵxՙ*PkM`©U#iTq>rsiM,['{т"p}<):9Y2zB]
4h)s(e2|
댩vCOp%sH>i.2fZ
^2ܽqh][uP:J_z
# 0M4<Ϯz,tꎛ4m
DHG pކ۪!yzu75:jELe>ל8#̚t#!)y6FLlcw/8;
B)DvX}甉Np2<7KpG0^çl}}YfLh?, `u<8 uFN#r^86[I<
=hl]Sϭ^|z{jV!|&/Nb50|j %㙶M믕YXdF/A1h~2zJvJ:ӁXv<