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Works matching IS 0920654X AND DT 2005 AND VI 19 AND IP 7

Results: 5

1

Quantitative prediction of imprinting factor of molecularly imprinted polymers by artificial neural network.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 7, p. 509, doi. 10.1007/s10822-005-9004-4

By:

Nantasenamat, Chanin;
Naenna, Thanakorn;
Na Ayudhya, Chartchalerm Isarankura;
Prachayasittikul, Virapong

Publication type:

Article

2

Surrogate docking: structure-based virtual screening at high throughput speed.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 7, p. 483, doi. 10.1007/s10822-005-9002-6

By:

Sukjoon Yoon;
Smellie, Andrew;
Hartsough, David;
Filikov, Anton

Publication type:

Article

3

Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligands.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 7, p. 525, doi. 10.1007/s10822-005-9005-3

By:

Leherte, Laurence;
Meurice, Nathalie;
Vercauteren, Daniel

Publication type:

Article

4

Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 7, p. 499, doi. 10.1007/s10822-005-9003-5

By:

Liu, H. X.;
Yao, X. J.;
Zhang, R. S.;
Liu, M. C.;
Hu, Z. D.;
Fan, B. T.

Publication type:

Article

5

A recursive-partitioning model for blood–brain barrier permeation.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 7, p. 465, doi. 10.1007/s10822-005-9001-7

By:

Mente, S. R.;
Lombardo, F.

Publication type:

Article