-
1
-
-
0028401513
-
Group contribution method for predicting probability and rate of aerobic biodegradation
-
Boetheling, R.S., Howard, P.H., Meylan, W., Stiteler, W., Beauman, J., Tirado, N., 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28, 459-465.
-
(1994)
Environ. Sci. Technol.
, vol.28
, pp. 459-465
-
-
Boetheling, R.S.1
Howard, P.H.2
Meylan, W.3
Stiteler, W.4
Beauman, J.5
Tirado, N.6
-
2
-
-
0035075254
-
Narcosis and chemical reactivity QSARs for acute fish toxicity
-
Freidig, A.B., Hermens, J.L.M., 2001. Narcosis and chemical reactivity QSARs for acute fish toxicity. QSAR 19, 547-553.
-
(2001)
QSAR
, vol.19
, pp. 547-553
-
-
Freidig, A.B.1
Hermens, J.L.M.2
-
3
-
-
0026704074
-
Application of the group contribution method for predicting the toxicity of organic chemicals
-
Gao, C., Govind, R., Tabak, H., 1992. Application of the group contribution method for predicting the toxicity of organic chemicals. Environ. Toxicol. Chem. 11, 631-636.
-
(1992)
Environ. Toxicol. Chem.
, vol.11
, pp. 631-636
-
-
Gao, C.1
Govind, R.2
Tabak, H.3
-
4
-
-
0029404240
-
Electrotopological state indices for atom types: A novel combination of electronic, topological and valence state information
-
Hall, L.H., Kier, L.B., 1995. Electrotopological state indices for atom types: a novel combination of electronic, topological and valence state information. J. Chem. Inf. Comput. Sci. 35, 1039-1045.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 1039-1045
-
-
Hall, L.H.1
Kier, L.B.2
-
5
-
-
0000497238
-
Boiling points and critical temperatures of a heterogeneous data set
-
Hall, L.H., Story, C.T., 1996. Boiling points and critical temperatures of a heterogeneous data set. J. Chem. Inf. Comput. Sci. 36, 1004-1014.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 1004-1014
-
-
Hall, L.H.1
Story, C.T.2
-
6
-
-
0001645890
-
Estimation of aqueous solubility for a diverse set of organic compounds based on molecular topology
-
Huuskonen, J., 2000. Estimation of aqueous solubility for a diverse set of organic compounds based on molecular topology. J. Chem. Inf. Comput. Sci. 40, 773-777.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 773-777
-
-
Huuskonen, J.1
-
7
-
-
0034833042
-
Estimation of water solubility from atom-type electrotopological state indices
-
Huuskonen, J., 2001a. Estimation of water solubility from atom-type electrotopological state indices. Environ. Toxicol. Chem. 20, 491-497.
-
(2001)
Environ. Toxicol. Chem.
, vol.20
, pp. 491-497
-
-
Huuskonen, J.1
-
8
-
-
0035652792
-
Prediction of biodegradation from the atom-type electrotopological state indices
-
Huuskonen, J., 2001b. Prediction of biodegradation from the atom-type electrotopological state indices. Environ. Toxicol. Chem. 20, 2152-2157.
-
(2001)
Environ. Toxicol. Chem.
, vol.20
, pp. 2152-2157
-
-
Huuskonen, J.1
-
9
-
-
0000691934
-
Neural network modeling for estimation of partition coefficient based on atom-type electrotopological state indices
-
Huuskonen, J., Livingstone, D., Tetko, I.V., 2000. Neural network modeling for estimation of partition coefficient based on atom-type electrotopological state indices. J. Chem. Inf. Comput. Sci. 40, 947-955.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 947-955
-
-
Huuskonen, J.1
Livingstone, D.2
Tetko, I.V.3
-
10
-
-
0030900210
-
Neural network modeling for estimation of the aqueous solubility of structurally related drugs
-
Huuskonen, J., Salo, M., Taskinen, J., 1997. Neural network modeling for estimation of the aqueous solubility of structurally related drugs. J. Pharm. Sci. 86, 445-450.
-
(1997)
J. Pharm. Sci.
, vol.86
, pp. 445-450
-
-
Huuskonen, J.1
Salo, M.2
Taskinen, J.3
-
11
-
-
0032061266
-
Aqueous solubility prediction of drugs based on molecular topology and neural network modeling
-
Huuskonen, J., Salo, M., Taskinen, J., 1998. Aqueous solubility prediction of drugs based on molecular topology and neural network modeling. J. Chem. Inf. Comput. Sci. 38, 450-456.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 450-456
-
-
Huuskonen, J.1
Salo, M.2
Taskinen, J.3
-
12
-
-
0033046916
-
Prediction of partition coefficient based on atom-type electrotopological state indices
-
Huuskonen, J., Villa, A.E.P., Tetko, I.V., 1999. Prediction of partition coefficient based on atom-type electrotopological state indices. J. Pharm. Sci. 88, 229-233.
-
(1999)
J. Pharm. Sci.
, vol.88
, pp. 229-233
-
-
Huuskonen, J.1
Villa, A.E.P.2
Tetko, I.V.3
-
13
-
-
0025155575
-
Electrotopological state index for atoms in molecules
-
Kier, L.B., Hall, L.H., 1990. Electrotopological state index for atoms in molecules. Pharm. Res. 7, 801-807.
-
(1990)
Pharm. Res.
, vol.7
, pp. 801-807
-
-
Kier, L.B.1
Hall, L.H.2
-
14
-
-
0028464119
-
Computer automated log P calculations based on an extended group contribution approach
-
Klopman, G., Li, J.-Y., Wang, S., Dimayaga, M., 1994. Computer automated log P calculations based on an extended group contribution approach. J. Chem. Inf. Comput. Sci. 34, 742-781.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 742-781
-
-
Klopman, G.1
Li, J.-Y.2
Wang, S.3
Dimayaga, M.4
-
15
-
-
0026914713
-
Estimation of aqueous solubility of organic molecules by the group contribution approach
-
Klopman, G., Wang, S., Balthasar, D.M., 1992. Estimation of aqueous solubility of organic molecules by the group contribution approach. J. Chem. Inf. Comput. Sci. 32, 474-482.
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 474-482
-
-
Klopman, G.1
Wang, S.2
Balthasar, D.M.3
-
16
-
-
0028990049
-
Group contribution methods to estimate water solubility of organic chemicals
-
Kühne, R., Ebert, R.-U., Scmidt, F., Schüürmann, G., 1995. Group contribution methods to estimate water solubility of organic chemicals. Chemosphere 30, 2061-2077.
-
(1995)
Chemosphere
, vol.30
, pp. 2061-2077
-
-
Kühne, R.1
Ebert, R.-U.2
Scmidt, F.3
Schüürmann, G.4
-
17
-
-
0034751673
-
Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure
-
Livingstone, D., Ford, M.G., Huuskonen, J., Salt, D., 2001. Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure. J. Comput. Aid. Mol. Des. 15, 741-752.
-
(2001)
J. Comput. Aid. Mol. Des.
, vol.15
, pp. 741-752
-
-
Livingstone, D.1
Ford, M.G.2
Huuskonen, J.3
Salt, D.4
-
18
-
-
0034774701
-
Prediction of the acute toxicity (96-h LC50) of organic compounds to the fathead minnow (Pimephales promelas) using a group contribution method
-
Martin, T.M., Young, D.M., 2001. Prediction of the acute toxicity (96-h LC50) of organic compounds to the fathead minnow (Pimephales promelas) using a group contribution method. Chem. Res. Toxicol. 14, 1378-1385.
-
(2001)
Chem. Res. Toxicol.
, vol.14
, pp. 1378-1385
-
-
Martin, T.M.1
Young, D.M.2
-
19
-
-
0029585123
-
Atom/fragment contribution method for estimating octanol-water partition coefficients
-
Meylan, W.M., Howard, P.H., 1995. Atom/fragment contribution method for estimating octanol-water partition coefficients. J. Pharm. Sci. 83, 83-92.
-
(1995)
J. Pharm. Sci.
, vol.83
, pp. 83-92
-
-
Meylan, W.M.1
Howard, P.H.2
-
20
-
-
0033103838
-
Evaluation and application of models for the prediction of ready biodegradability in the MITI-I test
-
Rorije, E., Loonen, H., Müller, M., Klopman, G., Peijnenburg, W., 1999. Evaluation and application of models for the prediction of ready biodegradability in the MITI-I test. Chemosphere 38, 1409-1417.
-
(1999)
Chemosphere
, vol.38
, pp. 1409-1417
-
-
Rorije, E.1
Loonen, H.2
Müller, M.3
Klopman, G.4
Peijnenburg, W.5
-
21
-
-
0000262640
-
New atom-additive method for calculating partition coefficients
-
Wang, R., Fu, Y., Lai, L., 1997. New atom-additive method for calculating partition coefficients. J. Chem. Inf. Comput. Sci. 37, 615-621.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 615-621
-
-
Wang, R.1
Fu, Y.2
Lai, L.3
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