Abstract
Approaches to the standard presentation of the structural formulae of substances in the anticancer drug database of the Blokhin RCRC, RAMS have been described. These approaches provide the maximum appropriate use of the formulae in systems of biological activity prediction according to the structure of a substance and during the calculation of various physical and chemical parameters.
Similar content being viewed by others
References
Apryshko, G.N., Blokhin RCRC RAMC information system on anticancer agents. Overall review. Naucno-Tech. Inf. Ser. 2, 2007, no. 1, pp. 18–22.
Apryshko, G.N. and Reshetnikova, V.V., Registration and nomenclature and chemical modules of the electronic data base of the information system on anticancer agents, Naucno-Tech.Inf. Ser. 2, 2007, no. 6, pp. 24–31.
Apryshko, G.N., Biological information in the electronic data base of the anticancer agents’ information system of SCR, ETTT RCRC, RAMS, RCRC Bulletin, 2007, no. 2, pp. 25–31.
Apryshko, G.N. and Gerasimova, G.K., Prospects of the use of the anticancer substances data bank of Blokhin RCRC RAMS, Siberian Oncology Journal, 2008, no. 6, pp. 46–51.
ISIS Base, URL: http://www.symyx.com/products/pdfs/ISISBASE.pdf
Apryshko, G.N., Technology of new substances registration in the anticancer agents information system of SCR ETTT of Blokhin RCRC RAMS with the use of the “Electronic passport”, Ros. Biotherapevticheskiy Zhurnal, 2009, no. 2, pp. 67–74.
Apryshko, G.N., Lysenko, S.A., and Goncharenko, L.V., “Electronic passport” as means of information standardization in the RCRC data base on anticancer substances, Materialy 12 Rossiyskogo Onkologicheskogo Kongressa (Materials of 12th Russian Oncology Congress), Moscow, 2008, p. 209.
Apryshko, G.N., Goncharenko, L.V., and Pugachyova, R.B., System for structural and chemical information presentation in the data base on anticancer substances of Blokhin RCRC RAMS, Ros. Biotherapevticheskiy Zhurnal, 2009, no. 2, Materialy 8 Vserossiyskoy Nauchno-Prakticheskoy Konferentsii “Otechestvennye Protivoopukholevye Preparaty” (Materials of the 8th All-Russian Scient. and Pract. Conference “Domestic Anticancer Drugs”, 21–22 April 2009), Moscow, p. 4.
STN International, URL: http://www.stn-international.de/clusters.html
CAS. A division of the American Chemical Society, URL: http://www.cas.org
ChemWeb.com, 2009, URL: http://www.chemweb.com
PubChem, URL: http://pubchem.ncbi.nlm.nih.gov14, Integrity, URL: http://integrity.prous.com/integrity/servlet/xmlxsl
DrugBank, URL: http://www.drugbank.ca
KEGG LIGAND Database, URL: http://www.genome.jp/kegg/ligand.html
Developmental Therapeutics Program NCI/NIH, URL: http://www.dtp.nci.nih.gov
Nemirovskaya, I.B., Trepalin, S.V., and Koroleva, L.M., Presentation of stereochemical information in the VINITI structural data base, Naucno-Tech. Inf. Ser. 2, 2006, no. 4, pp. 1–6.
Avakyan, V.G., Voronezheva, N.I., Nemirovskaya, I.B., Pudova, T.A., and Trepalin, S.V., Instruction for the Software for Graphic Introduction of the Structural Data (Instruktsiya po Ispolzovaniyu Programmy Graphicheskogo Vvoda Strukturnykh Dannykh), Moscow, VINITI, 1996, 45 p.
Rakhmanina, A.V., Nemirovskaya, I.B., Butorina, L.S., Dubitskaya, N.F., Knyazeva, G.R., and Krasotchenko, V.V., Formalizatsiya Predstavleniya Struktur Khimicheskikh Soedineniy (Formalization of Chemical Compounds Structure Presentation), Moscow, VINITI, 1998, 37 p.
Galayko, N.V., Tolmachyova, I.A., and Grishko, V.V., Synthesis of triterpen 2,3-seco-dinitrils based on betulin, Khimiya Prirodnykh Soedineniy, 2008, no. 5, pp. 280–281.
Additional information
Original Russian Text © R.B. Pugachyova, L.V. Goncharenko, V.G. Blinova, G.N. Apryshko, 2009, published in Nauchno-Tekhnicheskaya Informatsiya, Seriya 2, 2009, No. 10, pp. 14–18.
About this article
Cite this article
Pugachyova, R.B., Goncharenko, L.V., Blinova, V.G. et al. Presentation of structural chemical information in a database on anticancer drugs. Autom. Doc. Math. Linguist. 43, 286–291 (2009). https://doi.org/10.3103/S0005105509050045
Received:
Published:
Issue Date:
DOI: https://doi.org/10.3103/S0005105509050045