V. E. Golender

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A family of chemical structure description languages for structure-activity studies is proposed. It is based on the description of mutual displacement of potentially active (descriptor) centers in molecules and includes the fragmental notation SSFN, the topological system DCAM, and the topographical system DCGM. An approach to the automated selection of(More)
A graph potentials method for the solution of isomorphism and automorphism partitioning problems is proposed. The method is based on an analogy between graphs and electrical networks and serves to compute graph invariants, including vertex potentials and other characteristics, and to provide an efficient solution to the problems. The relationships between(More)
The d iscovery of new drugs is very t ime-consuming and entails great labor expenses in the synthesis and in the biological tes t ing of numerous chemical variat ions in the s t ructure of the prototype used as a basis for r e sea rch . Only in r a r e cases (in the sysnthesis of enzyme antagonists and the creat ion of new antimetabolites) is the(More)
The uracil fragment is frequently encountered in nature as part of heterocyclic compounds. It is included in DNA and RNA in the form of nucleotides. Many uracil derivatives exhibit a high level of biological activity. The alkylated and acylated derivatives of 5-fluorouracil, for example, l-(2-tetrahydrofuryl)-5-fluorouracil [2], is widely used for the(More)
The prediction of the biological activity of compounds by means of a computer has recently obtained increased acceptance. The use of a data bank containing data on the structure and biological activity enables predicting with definite probability the character of the biological activity of compounds which have not yet been investigated, and also the(More)
The overwhelming major i ty of investigations on the link between s t ruc tu re and act ivi ty of chemical compounds a re of a r e t rospec t ive nature, i .e. , they c lar i fy regular i t ies among compounds a l ready studied. There is substantial in te res t in the investigation of the possibi l i ty of forecas t ing the act ivi ty of compounds(More)
5. P. A. Petyunin, V. P. Chernykh, and V. I. Makurina, Reakts. Sposob. Org. Soed., 9, No. i, 153-163 (1972). 6. A. V. Raitsis and A. O. Ustinova, Lab. Delo, No. 17, 33-35 (1965). 7. The Chemist's Handbook [in Russian], Vol. 3, Moscow-Leningrad (1964). 8. E. Yu. Strel'nikov, Farmakol. Toksikol., 23, No. 6, 526-531 (1960). 9. V. P. Chenykh, V. I. Makurina,(More)
This paper presents REASON, an NLP system designed for knowledge-based information search in large digital libraries and the WWW. Unlike conventional information retrieval methods, our approach is based on using the content of natural language texts. We have elaborated a searching strategy consisting of three steps: (1) analysis natural language documents(More)