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Journal of Cheminformatics(1,603)
ISSN: 1758-2946
1    
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform 期刊论文

JOURNAL OF CHEMINFORMATICS     ISSN:1758-2946  Volume:4  Issue:1  Page:17-17  

Hanwell MD;   Curtis DE;   Lonie DC;   Vandermeersch T;   Zurek E;   ...

来源数据库:[Directory of Open Access Journals, Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:1657

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2    
Open Babel: An open chemical toolbox 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:3  Issue:1  Page:1-14  

O’Boyle Noel M;   Banck Michael;   James Craig A;   Morley Chris;   Vandermeersch Tim;   ...

来源数据库:[Directory of Open Access Journals, Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:1594

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3    
MetFrag relaunched: incorporating strategies beyond in silico fragmentation 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:8  Issue:1  Page:1-16  

Ruttkies Christoph;   Schymanski Emma L;   Wolf Sebastian;   Hollender Juliane;   Neumann Steffen;  

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:125

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4    
TCMSP: a database of systems pharmacology for drug discovery from herbal medicines 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:6  Issue:1  Page:1-6  

Ru Jinlong;   Li Peng;   Wang Jinan;   Zhou Wei;   Li Bohui;   ...

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:189

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5    
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations? 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:7  Issue:1  Page:1-13  

Bajusz Dávid;   Rácz Anita;   Héberger Károly;  

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:133

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6    
InChI - the worldwide chemical structure identifier standard 期刊论文

JOURNAL OF CHEMINFORMATICS     ISSN:1758-2946  Volume:5  Issue:1  Page:7-7  

Heller S;   McNaught A;   Stein S;   Tchekhovskoi D;   Pletnev I;  

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:147

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7    
Organization of GC/MS and LC/MS metabolomics data into chemical libraries 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:2  Issue:1  Page:1-12  

DeHaven Corey D;   Evans Anne M;   Dai Hongping;   Lawton Kay A;  

来源数据库:[Directory of Open Access Journals, Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:248

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8    
Cross-validation pitfalls when selecting and assessing regression and classification models 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:6  Issue:1  Page:1-15  

Krstajic Damjan;   Buturovic Ljubomir J;   Leahy David E;   Thomas Simon;  

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:94

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9    
InChI, the IUPAC International Chemical Identifier 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:7  Issue:1  Page:1-34  

Heller Stephen R;   McNaught Alan;   Pletnev Igor;   Stein Stephen;   Tchekhovskoi Dmitrii;  

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:73

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10    
tmChem: a high performance approach for chemical named entity recognition and normalization 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:7  Issue:S1  Page:1-10  

Leaman Robert;   Wei Chih-Hsuan;   Lu Zhiyong;  

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:70

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11    
Molecular de-novo design through deep reinforcement learning 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:9  Issue:1  Page:1-14  

Olivecrona Marcus;   Blaschke Thomas;   Engkvist Ola;   Chen Hongming;  

来源数据库:[Directory of Open Access Journals, Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:44

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12    
Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:1  Issue:1  Page:1-16  

Bikadi Zsolt;   Hazai Eszter;  

来源数据库:[Directory of Open Access Journals, Web of Science, Science Citation Index Expanded]         被引频次:219

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13    
MOLE 2.0: advanced approach for analysis of biomacromolecular channels 期刊论文

JOURNAL OF CHEMINFORMATICS     ISSN:1758-2946  Volume:5  Issue:1  Page:39-39  

Sehnal D;   Varekovaa RS;   Berka K;   Pravda L;   Navratilova V;   ...

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:105

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14    
MINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:7  Issue:1  Page:1-8  

Jeffryes James G;   Colastani Ricardo L;   Elbadawi-Sidhu Mona;   Kind Tobias;   Niehaus Thomas D;   ...

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:60

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15    
Linked open drug data for pharmaceutical research and development 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:3  Issue:1  Page:1-6  

Samwald Matthias;   Jentzsch Anja;   Bouton Christopher;   Kallesøe Claus Stie;   Willighagen Egon;   ...

来源数据库:[Directory of Open Access Journals, Web of Science, Science Citation Index Expanded]         被引频次:96

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16    
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:9  Issue:1  Page:1-27  

Williams Antony J;   Grulke Christopher M;   Edwards Jeff;   McEachran Andrew D;   Mansouri Kamel;   ...

来源数据库:[Directory of Open Access Journals, Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:35

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17    
CHEMDNER: The drugs and chemical names extraction challenge 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:7  Issue:S1  Page:1-11  

Krallinger Martin;   Leitner Florian;   Rabal Obdulia;   Vazquez Miguel;   Oyarzabal Julen;   ...

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:44

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18    
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:9  Issue:1  Page:1-19  

Willighagen Egon L;   Mayfield John W;   Alvarsson Jonathan;   Berg Arvid;   Carlsson Lars;   ...

来源数据库:[Directory of Open Access Journals, Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:31

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19    
Systems biology approaches for advancing the discovery of effective drug combinations 期刊论文

JOURNAL OF CHEMINFORMATICS     ISSN:1758-2946  Volume:7  Issue:1  Page:1-15  

Ryall KA;   Tan AC;  

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:50

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20    
JSME: a free molecule editor in JavaScript 期刊论文

Journal of Cheminformatics     ISSN:1758-2946  Volume:5  Issue:1  Page:1-6  

Bienfait Bruno;   Ertl Peter;  

来源数据库:[Web of Science, Science Citation Index Expanded, Biotechnology Research Abstracts]         被引频次:76

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