Works matching IS 0920654X AND DT 2008 AND VI 22 AND IP 6/7

Results: 16

Evaluation of descriptors and classification schemes to predict cytochrome substrates in terms of chemical information.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 385, doi. 10.1007/s10822-008-9176-9

By:

Block, John H.;
Henry, Douglas R.

Publication type:

Article

Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 367, doi. 10.1007/s10822-008-9192-9

By:

Guha, Rajarshi;
Schürer, Stephan C.

Publication type:

Article

Preface to the special issue in memory of Phil Magee.

Published in:

2008

By:

Clark, Robert D.

Publication type:

Editorial

Size-intensive descriptors.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 461, doi. 10.1007/s10822-008-9209-4

By:

Purvis, III, George

Publication type:

Article

Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 345, doi. 10.1007/s10822-008-9190-y

By:

Jianzhong Liu;
Kern, Petra S.;
Gerberick, G. Frank;
Santos-Filho, Osvaldo A.;
Esposito, Emilio X.;
Hopfinger, Anton J.;
Tseng, Yufeng J.

Publication type:

Article

Philip S. Magee: a life in QSAR.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 335, doi. 10.1007/s10822-007-9153-8

By:

Charton, Marvin

Publication type:

Article

LASSO—ligand activity by surface similarity order: a new tool for ligand based virtual screening.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 479, doi. 10.1007/s10822-007-9164-5

By:

Reid, Darryl;
Sadjad, Bashir S.;
Zsoldos, Zsolt;
Simon, Aniko

Publication type:

Article

A ligand’s-eye view of protein binding.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 507, doi. 10.1007/s10822-008-9177-8

By:

Clark, Robert D.

Publication type:

Article

Quantitative structure–activity relationship analysis of canonical inhibitors of serine proteases.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 469, doi. 10.1007/s10822-008-9175-x

By:

Dell'Orco, Daniele;
De Benedetti, Pier Giuseppe

Publication type:

Article

Hierarchical QSAR technology based on the Simplex representation of molecular structure.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 403, doi. 10.1007/s10822-008-9179-6

By:

Kuz'min, V.;
Artemenko, A. G.;
Muratov, E. N.

Publication type:

Article

Automatic QSAR modeling of ADME properties: blood–brain barrier penetration and aqueous solubility.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 431, doi. 10.1007/s10822-008-9193-8

By:

Obrezanova, Olga;
Gola, Joelle M. R.;
Edmund J. Champness;
Matthew D. Segall

Publication type:

Article

Predicting allergic contact dermatitis: a hierarchical structure–activity relationship (SAR) approach to chemical classification using topological and quantum chemical descriptors.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 339, doi. 10.1007/s10822-008-9202-y

By:

Basak, Subhash C.;
Mills, Denise;
Hawkins, Douglas M.

Publication type:

Article

On the importance of topological descriptors in understanding structure–property relationships.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 441, doi. 10.1007/s10822-008-9204-9

By:

Stanton, David T.

Publication type:

Article

Neural network-based QSAR and insecticide discovery: spinetoram.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 393, doi. 10.1007/s10822-008-9205-8

By:

Sparks, Thomas C.;
Crouse, Gary D.;
Dripps, James E.;
Anzeveno, Peter;
Martynow, Jacek;
DeAmicis, Carl V.;
Gifford, James

Publication type:

Article

A new paradigm for pattern recognition of drugs.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 489, doi. 10.1007/s10822-008-9203-x

By:

Potemkin, Vladimir A.;
Grishina, Maria A.

Publication type:

Article

QSAR without arbitrary descriptors: the electron-conformational method.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 423, doi. 10.1007/s10822-008-9191-x

By:

Bersuker, Isaac

Publication type:

Article