-
1
-
-
0033549850
-
Robust QSAR models using Bayesian regularized neural networks
-
Burden FR, Winkler DA (1999) Robust QSAR models using Bayesian regularized neural networks. J Med Chem 42:3183-3187.
-
(1999)
J Med Chem
, vol.42
, pp. 3183-3187
-
-
Burden, F.R.1
Winkler, D.A.2
-
2
-
-
0003318015
-
Robust QSAR models from novel descriptors and Bayesian regularized neural networks
-
Winkler DA, Burden FR (2000) Robust QSAR models from novel descriptors and Bayesian regularized neural networks. Mol Simul 24:243-258.
-
(2000)
Mol Simul
, vol.24
, pp. 243-258
-
-
Winkler, D.A.1
Burden, F.R.2
-
3
-
-
0002704818
-
A practical Bayesian framework for backpropagation networks
-
MacKay DJC (1992) A practical Bayesian framework for backpropagation networks. Neural Computation 4:448-472.
-
(1992)
Neural Computation
, vol.4
, pp. 448-472
-
-
MacKay, D.J.C.1
-
4
-
-
0000104192
-
Nonlinear multivariate regression outperforms several concisely designed neural networks on three QSPR data sets
-
Lucic B, Amic D, Trinajstic N (2000) Nonlinear multivariate regression outperforms several concisely designed neural networks on three QSPR data sets. J Chem Inf Comput Sci 40:403-413.
-
(2000)
J Chem Inf Comput Sci
, vol.40
, pp. 403-413
-
-
Lucic, B.1
Amic, D.2
Trinajstic, N.3
-
9
-
-
0036490199
-
An approach to the interpretation of backpropagation neural network models in QSAR studies
-
Baskin II, Ait AO, Halberstamc NM, PalyulinVA, Zefirov NS (2002) An approach to the interpretation of backpropagation neural network models in QSAR studies. SAR QSAR Environ Res 13:35-41.
-
(2002)
SAR QSAR Environ Res
, vol.13
, pp. 35-41
-
-
Baskin, I.I.1
Ait, A.O.2
Halberstamc, N.M.3
Palyulin, V.A.4
Zefirov, N.S.5
-
10
-
-
0001245212
-
Use of automatic relevance determination in QSAR studies using Bayesian neural networks
-
Burden FR, Ford MG, Whitley DC, Winkler DA (2000) Use of automatic relevance determination in QSAR studies using Bayesian neural networks. J Chem Inf Comput Sci 40:1423-1430.
-
(2000)
J Chem Inf Comput Sci
, vol.40
, pp. 1423-1430
-
-
Burden, F.R.1
Ford, M.G.2
Whitley, D.C.3
Winkler, D.A.4
-
11
-
-
29144484633
-
Predictive human intestinal absorption QSAR models using Bayesian regularized neural networks
-
Polley MJ, Burden FR, Winkler, DA. (2005) Predictive human intestinal absorption QSAR models using Bayesian regularized neural networks. Aust J Chem 58:859-863.
-
(2005)
Aust J Chem
, vol.58
, pp. 859-863
-
-
Polley, M.J.1
Burden, F.R.2
Winkler, D.A.3
-
12
-
-
0030026012
-
Using artificial neural networks to predict biological activity from simple molecular structure considerations
-
Burden F R (1996) Using artificial neural networks to predict biological activity from simple molecular structure considerations. Quant Struct-Act Relat 15:7-11.
-
(1996)
Quant Struct-Act Relat
, vol.15
, pp. 7-11
-
-
Burden, F.R.1
-
13
-
-
0024715264
-
Molecular identification number for substructure searches
-
Burden FR (1989) Molecular identification number for substructure searches. J Chem Inf Comput Sci 29:225-227.
-
(1989)
J Chem Inf Comput Sci
, vol.29
, pp. 225-227
-
-
Burden, F.R.1
-
14
-
-
12444281776
-
Bayesian neural nets for modeling in drug discovery
-
Winkler DA, Burden FR (2004) Bayesian neural nets for modeling in drug discovery. Biosilico 2:104-111.
-
(2004)
Biosilico
, vol.2
, pp. 104-111
-
-
Winkler, D.A.1
Burden, F.R.2
-
15
-
-
49149147973
-
Iterative partial equalization of orbital electronegativity-A rapid access to atomic charges
-
Gasteiger J, Marsili, M (1980) Iterative partial equalization of orbital electronegativity-A rapid access to atomic charges. Tetrahedron. 36:3219-3288.
-
(1980)
Tetrahedron
, vol.36
, pp. 3219-3288
-
-
Gasteiger, J.1
Marsili, M.2
-
16
-
-
0034094124
-
A QSAR model for the acute toxicity of substituted benzenes to tetrahymena pyriformis using Bayesian Regularized neural networks
-
Burden FR, Winkler DA (2000) A QSAR model for the acute toxicity of substituted benzenes to tetrahymena pyriformis using Bayesian Regularized neural networks. Chem Res Toxicol 13:436-440.
-
(2000)
Chem Res Toxicol
, vol.13
, pp. 436-440
-
-
Burden, F.R.1
Winkler, D.A.2
-
17
-
-
0030761121
-
A chemically intuitive molecular index based on the eigenvalues of a modified adjacency matrix
-
Burden FR (1997) A chemically intuitive molecular index based on the eigenvalues of a modified adjacency matrix. Quant Struct-Act Relat 16:309-314.
-
(1997)
Quant Struct-Act Relat
, vol.16
, pp. 309-314
-
-
Burden, F.R.1
-
18
-
-
2942538155
-
Modelling blood brain barrier partitioning using Bayesian neural nets
-
Winkler DA, Burden FR (2004) Modelling blood brain barrier partitioning using Bayesian neural nets, J Mol Graph Model 22:499-508.
-
(2004)
J Mol Graph Model
, vol.22
, pp. 499-508
-
-
Winkler, D.A.1
Burden, F.R.2
-
19
-
-
0013232044
-
-
Technical Report CS-R9526, Centrum voor Wiskunde en Informatica (CWI), Amsterdam, May 1995
-
van Rossum G (1995) Python tutorial. Technical Report CS-R9526, Centrum voor Wiskunde en Informatica (CWI), Amsterdam, May1995.
-
(1995)
Python Tutorial
-
-
Van Rossum, G.1
-
22
-
-
0003318015
-
Robust QSAR models from novel descriptors and Bayesian regularized neural networks
-
Winkler DA, Burden FR (2000) Robust QSAR models from novel descriptors and Bayesian regularized neural networks. Mol Simul 24:243-258.
-
(2000)
Mol Simul
, vol.24
, pp. 243-258
-
-
Winkler, D.A.1
Burden, F.R.2
-
23
-
-
0036368719
-
Application of neural networks to large dataset QSAR, virtual screening and library design
-
Bellavance-English,L (ed), Humana Press, Totowa, NJ
-
Winkler DA, Burden FR (2002) Application of neural networks to large dataset QSAR, virtual screening and library design. in: Bellavance-English,L (ed) Combinatorial chemistry methods and protocols., Humana Press, Totowa, NJ.
-
(2002)
Combinatorial Chemistry Methods and Protocols
-
-
Winkler, D.A.1
Burden, F.R.2
-
24
-
-
0035526164
-
Search for predictive generic model of aqueous solubility using Bayesian neural nets
-
Bruneau P (2001) Search for predictive generic model of aqueous solubility using Bayesian neural nets. J Chem Inf Comput Sci 41:1605-1616.
-
(2001)
J Chem Inf Comput Sci
, vol.41
, pp. 1605-1616
-
-
Bruneau, P.1
-
26
-
-
0001025418
-
Bayesian interpolation
-
MacKay DJC (1992) Bayesian interpolation. Neur Comput 4:415-447.
-
(1992)
Neur Comput
, vol.4
, pp. 415-447
-
-
MacKay, D.J.C.1
|