Methods for selecting compounds from molecular databases

Pharmacy and Pharmacology Communications

Volumn 4, Issue 3, 1998, Pages 153-155

  Sadowski, Jens ^a  

^a BASF SE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; DATA BASE; DRUG CLASSIFICATION; SCORING SYSTEM;

EID: 0031937747     PISSN: 14608081     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (5)

1. Bauknecht, H., Zell, A., Bayer, H., Levi, P., Wagener, M., Sadowski, J., Gasteiger, J. (1996) Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: dopamine and benzodiazepine agonists. J. Chem. Inf. Comput. Sci. 36: 1205-1213
2. Sadowski, J., Wagener, M., Gasteiger, J. (1995) Assessing similarity and diversity of combinatorial libraries by spatial autocorrelation functions and neural networks. Angew. Chem. Int. Ed. Engl. 34: 2674-2677
3. Viswanadhan, V. N., Ghose, A. K., Revankar, G. R., Robins, R. K. (1989) Atomic physicochemical parameters for three-dimensional structure-directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occuring nucleoside antibiotics. J. Chem. Inf. Comput. Sci. 29: 163-172
4. Wagener, M., Sadowski, J., Gasteiger, J. (1995) Auto-correlation of molecular surface properties for modeling corticosteroid binding globulin and cytosolic Ah receptor activity by neural networks. J. Am. Chem. Soc. 117: 7769-7775
5. Warr, W. A. (1997) Combinatorial chemistry and molecular diversity. An overview. J. Chem. Inf. Comput. Sci. 37: 134-140