-
1
-
-
84928605620
-
-
OpenBabel v.2.2.0
-
OpenBabel v.2.2.0 [http://openbabel.org]
-
-
-
-
2
-
-
33745135773
-
Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics
-
Steinbeck C, Hoppe C, Kuhn S, Floris M, Guha R, Willighagen E: Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics. Curr Pharm Des 2006, 12:2110-2120. 10.2174/138161206777585274
-
(2006)
Curr Pharm Des
, vol.12
, pp. 2110-2120
-
-
Steinbeck, C.1
Hoppe, C.2
Kuhn, S.3
Floris, M.4
Guha, R.5
Willighagen, E.6
-
4
-
-
0000554921
-
Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles
-
Murray-Rust P, Rzepa HS: Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles. J Chem Inf Comput Sci 1999, 39:928-942.
-
(1999)
J Chem Inf Comput Sci
, vol.39
, pp. 928-942
-
-
Murray-Rust, P.1
Rzepa, H.S.2
-
5
-
-
84928631804
-
-
Apodaca R, O'Boyle N, Dalke A, Van Drie J, Ertl P, Hutchison G, James CA, Landrum G, Morley C, Willighagen E, De Winter H: OpenSMILES. [ http://www.opensmiles.org ]
-
OpenSMILES
-
-
Apodaca, R.1
O'Boyle, N.2
Dalke, A.3
Van Drie, J.4
Ertl, P.5
Hutchison, G.6
James, C.A.7
Landrum, G.8
Morley, C.9
Willighagen, E.10
De Winter, H.11
-
6
-
-
84928643978
-
-
Daylight Chemical Information Systems Manual [ http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html ]
-
-
-
-
7
-
-
41249091782
-
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
-
O'Boyle NM, Morley C, Hutchison GR: Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit. Chem Cent J 2008, 2:5. 10.1186/1752-153X-2-5
-
(2008)
Chem Cent J
, vol.2
, pp. 5
-
-
O'Boyle, N.M.1
Morley, C.2
Hutchison, G.R.3
-
8
-
-
84928618742
-
-
Kosata B: OASA. [ http://bkchem.zirael.org/oasa_en.html ]
-
OASA
-
-
Kosata, B.1
-
9
-
-
4744371168
-
-
Reading, MA: Addison-Wesley
-
Raymond ES: The Art of UNIX Programming. Reading, MA: Addison-Wesley; 2003. [ http://www.catb.org/~esr/writings/taoup/index.html ]
-
(2003)
The Art of UNIX Programming
-
-
Raymond, E.S.1
-
10
-
-
84928621889
-
-
Symyx CTfile formats [ http://www.mdli.com/downloads/public/ctfile/ctfile.jsp ]
-
-
-
-
12
-
-
84928631683
-
-
SWIG v.1.3.36
-
SWIG v.1.3.36 [ http://www.swig.org ]
-
-
-
-
14
-
-
84928645353
-
-
Boost.Python [ http://www.boost.org/libs/python/doc/ ]
-
-
-
-
16
-
-
13844312649
-
ZINC - A Free Database of Commercially Available Compounds for Virtual Screening
-
Irwin JJ, Shoichet BK: ZINC - A Free Database of Commercially Available Compounds for Virtual Screening. J Chem Inf Model 2005, 45:177-182. 10.1021/ci049714+
-
(2005)
J Chem Inf Model
, vol.45
, pp. 177-182
-
-
Irwin, J.J.1
Shoichet, B.K.2
-
17
-
-
84928606494
-
-
PubChem [ http://pubchem.ncbi.nlm.nih.gov/ ]
-
-
-
-
18
-
-
84928623014
-
-
Xemistry GmbH: Lahntal, Germany
-
CACTVS Chemoinformatics Toolkit: Xemistry GmbH: Lahntal, Germany
-
-
-
|