-
Notifications
You must be signed in to change notification settings - Fork 0
/
CITATION.cff
76 lines (75 loc) · 2.11 KB
/
CITATION.cff
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!
cff-version: 1.2.0
title: >-
High-quality and universal empirical atomic charges for
chemoinformatics applications
message: >-
Please cite this dataset using the metadata from
'preferred-citation'.
type: dataset
authors:
- given-names: Stanislav
family-names: Geidl
- given-names: Tomáš
family-names: Bouchal
- given-names: Tomáš
family-names: Raček
orcid: 'https://orcid.org/0000-0002-0296-2452'
- given-names: Radka
family-names: Svobodová Vařeková
orcid: 'https://orcid.org/0000-0002-3840-8760'
- given-names: Václav
family-names: Hejret
- given-names: Aleš
family-names: Křenek
orcid: 'https://orcid.org/0000-0002-3395-3196'
- given-names: Ruben
family-names: Abagyan
orcid: 'https://orcid.org/0000-0001-9309-2976'
- given-names: Jaroslav
family-names: Koča
orcid: 'https://orcid.org/0000-0002-2780-4901'
keywords:
- partial atomic charges
- EEM
- parameters
- quantum mechanics
- QM
- drug-like molecules
- Electronegativity Equalization Method
license: CC-BY-4.0
preferred-citation:
authors:
- given-names: Stanislav
family-names: Geidl
- given-names: Tomáš
family-names: Bouchal
- given-names: Tomáš
family-names: Raček
orcid: 'https://orcid.org/0000-0002-0296-2452'
affiliation: Masaryk University
- given-names: Radka
family-names: Svobodová Vařeková
orcid: 'https://orcid.org/0000-0002-3840-8760'
- given-names: Václav
family-names: Hejret
- given-names: Aleš
family-names: Křenek
orcid: 'https://orcid.org/0000-0002-3395-3196'
- given-names: Ruben
family-names: Abagyan
orcid: 'https://orcid.org/0000-0001-9309-2976'
- given-names: Jaroslav
family-names: Koča
orcid: 'https://orcid.org/0000-0002-2780-4901'
title: >-
High-quality and universal empirical atomic charges
for chemoinformatics application
type: article
doi: 10.1186/s13321-015-0107-1
journal: Journal of Cheminformatics
issue: 1
volume: 7
year: 2015
month: 12