1758-2946

Journal of Cheminformatics

Springer (Biomed Central Ltd.)

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Attach ORCID iDs across 1364 articles

ORCID iDs strengthen author disambiguation and institutional reporting.

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Deposit reference lists for 129 records

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DOIs for this ISSN

Showing the top 5 of 1843 DOIs, ordered by correction priority.

# Title Missing Priority Citations
1 Avogadro: an advanced semantic chemical editor, visualizatio… (10.1186/1758-2946-4-17)
Abstract ORCID
197.97 9105
2 Open Babel: An open chemical toolbox (10.1186/1758-2946-3-33)
Abstract ORCID
197.30 8828
3 Key features and updates for Origin 2018 (10.1186/s13321-018-0259-x)
Abstract References ORCID
166.31 164
4 http://Mcule.com: a public web service for drug discovery (10.1186/1758-2946-4-s1-p17)
Abstract References ORCID
160.25 136
5 Estimation of synthetic accessibility score of drug-like mol… (10.1186/1758-2946-1-8)
Abstract ORCID
159.78 1568
6 ClassyFire: automated chemical classification with a compreh… (10.1186/s13321-016-0174-y)
Abstract ORCID
156.80 1367
7 MetFrag relaunched: incorporating strategies beyond in silic… (10.1186/s13321-016-0115-9)
Abstract ORCID
148.38 927
8 Cross-validation pitfalls when selecting and assessing regre… (10.1186/1758-2946-6-10)
Abstract ORCID
147.13 875
9 InChI, the IUPAC International Chemical Identifier (10.1186/s13321-015-0068-4)
Abstract ORCID
142.56 709
10 Organization of GC/MS and LC/MS metabolomics data into chemi… (10.1186/1758-2946-2-9)
Abstract ORCID
135.84 520
11 Application of the PM6 semi-empirical method to modeling pro… (10.1186/1758-2946-1-15)
Abstract ORCID
134.99 500
12 CurlySMILES: a chemical language to customize and annotate e… (10.1186/1758-2946-3-1)
Abstract ORCID
133.51 467
13 Supercell program: a combinatorial structure-generation appr… (10.1186/s13321-016-0129-3)
Abstract ORCID
133.04 457
14 InChI - the worldwide chemical structure identifier standard (10.1186/1758-2946-5-7)
Abstract ORCID
130.27 402
15 ChemDes: an integrated web-based platform for molecular desc… (10.1186/s13321-015-0109-z)
Abstract ORCID
126.95 345
16 Open-source platform to benchmark fingerprints for ligand-ba… (10.1186/1758-2946-5-26)
Abstract ORCID
124.00 301
17 Multi-objective de novo drug design with conditional graph g… (10.1186/s13321-018-0287-6)
Abstract ORCID
122.59 282
18 Indigo: universal cheminformatics API (10.1186/1758-2946-3-s1-p4)
Abstract References ORCID
122.51 42
19 Confab - Systematic generation of diverse low-energy conform… (10.1186/1758-2946-3-8)
Abstract ORCID
119.98 250
20 JSME: a free molecule editor in JavaScript (10.1186/1758-2946-5-24)
Abstract ORCID
119.90 249
21 Ketcher: web-based chemical structure editor (10.1186/1758-2946-3-s1-p3)
Abstract References ORCID
119.33 38
22 Calculating an optimal box size for ligand docking and virtu… (10.1186/s13321-015-0067-5)
Abstract ORCID
116.72 215
23 Open Drug Discovery Toolkit (ODDT): a new open-source player… (10.1186/s13321-015-0078-2)
Abstract ORCID
114.83 197
24 Comparing structural fingerprints using a literature-based s… (10.1186/s13321-016-0148-0)
Abstract ORCID
114.72 196
25 CHEMDNER: The drugs and chemical names extraction challenge (10.1186/1758-2946-7-s1-s1)
Abstract ORCID
114.28 192
26 MINEs: open access databases of computationally predicted en… (10.1186/s13321-015-0087-1)
Abstract ORCID
114.28 192
27 Similarity maps - a visualization strategy for molecular fin… (10.1186/1758-2946-5-43)
Abstract ORCID
112.76 179
28 Fragmentation trees reloaded (10.1186/s13321-016-0116-8)
Abstract ORCID
112.64 178
29 The CHEMDNER corpus of chemicals and drugs and its annotatio… (10.1186/1758-2946-7-s1-s2)
Abstract ORCID
111.65 170
30 OSCAR4: a flexible architecture for chemical text-mining (10.1186/1758-2946-3-41)
Abstract ORCID
111.27 167
31 ChemicalTagger: A tool for semantic text-mining in chemistry (10.1186/1758-2946-3-17)
Abstract ORCID
110.21 159
32 Multilevel Parallelization of AutoDock 4.2 (10.1186/1758-2946-3-12)
Abstract ORCID
110.07 158
33 UniChem: a unified chemical structure cross-referencing and… (10.1186/1758-2946-5-3)
Abstract ORCID
109.79 156
34 PubChem3D: a new resource for scientists (10.1186/1758-2946-3-32)
Abstract ORCID
109.66 155
35 ADMET evaluation in drug discovery: 15. Accurate prediction… (10.1186/s13321-016-0117-7)
Abstract ORCID
108.51 147
36 ExCAPE-DB: an integrated large scale dataset facilitating Bi… (10.1186/s13321-017-0203-5)
Abstract ORCID
108.51 147
37 Linked open drug data for pharmaceutical research and develo… (10.1186/1758-2946-3-19)
Abstract ORCID
107.31 139
38 Improving chemical similarity ensemble approach in target pr… (10.1186/s13321-016-0130-x)
Abstract ORCID
107.31 139
39 Computational mass spectrometry for small molecules (10.1186/1758-2946-5-12)
Abstract ORCID
106.99 137
40 Systems biology approaches for advancing the discovery of ef… (10.1186/s13321-015-0055-9)
Abstract ORCID
106.03 131
41 BCL::Conf: small molecule conformational sampling using a kn… (10.1186/s13321-015-0095-1)
Abstract ORCID
105.70 129
42 AutoDock VinaXB: implementation of XBSF, new empirical halog… (10.1186/s13321-016-0139-1)
Abstract ORCID
105.19 126
43 Reliable estimation of prediction errors for QSAR models und… (10.1186/s13321-014-0047-1)
Abstract ORCID
104.67 123
44 ChemSpider - building a foundation for the semantic web by h… (10.1186/1758-2946-2-s1-o16)
Abstract References ORCID
103.52 23
45 Target prediction utilising negative bioactivity data coveri… (10.1186/s13321-015-0098-y)
Abstract ORCID
102.46 111
46 PubChemRDF: towards the semantic annotation of PubChem compo… (10.1186/s13321-015-0084-4)
Abstract ORCID
101.47 106
47 Prediction of cyclin-dependent kinase 2 inhibitor potency us… (10.1186/1758-2946-3-2)
Abstract ORCID
101.06 104
48 Benchmarking of protein descriptor sets in proteochemometric… (10.1186/1758-2946-5-41)
Abstract ORCID
101.06 104
49 SANCDB: a South African natural compound database (10.1186/s13321-015-0080-8)
Abstract ORCID
100.64 102
50 The ChEMBL database as linked open data (10.1186/1758-2946-5-23)
Abstract ORCID
100.43 101