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The NCI drug information system. 1. System overview
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Milne, G. W. A.; Miller, J. A. The NCI Drug Information System. 1. System Overview. J. Chem. Inf. Comput. Sci. 1986, 26, 154-159.
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Milne, G.W.A.1
Miller, J.A.2
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2
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0028501715
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National cancer institute drug information system 3D database
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Milne, G. W. A.; Nicklaus, M. C.; Driscoll, J. S.; Wang, S.; Zaharevitz, D. National Cancer Institute Drug Information System 3D Database. J. Chem. Inf. Comput. Sci. 1994, 34, 1219-1224.
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Milne, G.W.A.1
Nicklaus, M.C.2
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Wang, S.4
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http://dtp.nci.nih.gov/webdata.html.
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4
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0013151091
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note
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The DTP Human Tumor Cell Line screening data are available at http://dtp.nci.nih.gov/docs/cancer/cancer_data.html. The DTP AIDS Antiviral screening data are available at http://dtp.nci.nih.gov/docs/aids/aids_data.html. A very recent new release by DTP ("Marsh 2002") has expanded this data set to about 41 000 compounds for the cancer screen and to about 44 000 compounds for the AIDS screen, respectively.
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5
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0035324932
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Comparison of the NCI open database with seven large chemical structural databases
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Voigt. J. H.; Bienfait, B.; Wang, S.; Nicklaus, M. C. Comparison of the NCI Open Database with Seven Large Chemical Structural Databases. J. Chem. Inf. Comput. Sci. 2001, 41, 702-712.
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, vol.41
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Voigt, J.H.1
Bienfait, B.2
Wang, S.3
Nicklaus, M.C.4
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6
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0036025426
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Enhanced CACTVS browser of the open NCI database
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Ihlenfeldt, W.-D.; Voigt, J. H.; Bienfait, B.; Oellien, F.; Nicklaus, M. C.; Enhanced CACTVS Browser of the Open NCI Database, J. Chem. Inf. Comput. Sci. 2002, 42(1), 46-57.
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Ihlenfeldt, W.-D.1
Voigt, J.H.2
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Oellien, F.4
Nicklaus, M.C.5
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7
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0013059893
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note
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The original source for structure information of the open NCI DB compounds is http://dtp.nci.nih.gov/docs/3d_database/structural_information/ structural_data.html. They can also be obtained, in several "repackaged" forms, at http://cactus.nci.nih.gov/ncidb2/download.html.
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8
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0002690227
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PASS: Computerized prediction of biological activity spectra for chemical substances
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BIOS Scientific Publishers: Oxford
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Filimonov, D. A.; Poroikov, V. V. PASS: Computerized Prediction of Biological Activity Spectra for Chemical Substances. In Bioactive Compound Design: Possibilities for Industrial Use; BIOS Scientific Publishers: Oxford, 1996; pp 47-56.
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(1996)
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Filimonov, D.A.1
Poroikov, V.V.2
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9
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0003089890
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Evaluation of computer system for prediction of biological activity PASS on the set of new chemical compounds
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(English translation by Consultants Bureau, New York: Pharmaceutical Chemistry Journal)
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Gloriozova, T. A.; Filimonov, D. A.; Lagunin, A. A.; Poroikov, V. V. Evaluation of computer system for prediction of biological activity PASS on the set of new chemical compounds. Chim.-Pharm. J. (Rus); 1998, 32(12), 32-39. (English translation by Consultants Bureau, New York: Pharmaceutical Chemistry Journal).
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(1998)
Chim.-Pharm. J. (Rus)
, vol.32
, Issue.12
, pp. 32-39
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Gloriozova, T.A.1
Filimonov, D.A.2
Lagunin, A.A.3
Poroikov, V.V.4
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10
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0013106055
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Computer-aided prediction of biological activity spectra. Application for finding and optimization of new leads
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Prous Science: Barcelona
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Poroikov, V.; Filimonov, D. Computer-aided prediction of biological activity spectra. Application for finding and optimization of new leads. Rational Approaches to Drug Design; Prous Science: Barcelona, 2001; pp 403-407.
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(2001)
Rational Approaches to Drug Design
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Poroikov, V.1
Filimonov, D.2
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11
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0003476930
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Kubinyi, H., Folkers, G., Martin, Y. C., Eds.; Kluwer. The Netherlands
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3D QSAR in Drug Design; Kubinyi, H., Folkers, G., Martin, Y. C., Eds.; Kluwer. The Netherlands, 1997; Vol. II and Vol. III.
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(1997)
3D QSAR in Drug Design
, vol.2-3
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14
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0039297599
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The criteria of chemical structures similarity and the principles for design of description language for chemical information processing of biologically active compounds
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Avidon, V. V. The criteria of chemical structures similarity and the principles for design of description language for chemical information processing of biologically active compounds. Chem. Pharmaceut. J. (Rus.) 1974, No. 7, 22-25.
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(1974)
Chem. Pharmaceut. J. (Rus.)
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Avidon, V.V.1
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15
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0013153036
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National system for registration and biological testing of chemical compounds: Facilities for new drugs search
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Burov, Yu. V.; Poroikov, V. V.; Korolchenko, L. V. National System for Registration and Biological Testing of Chemical Compounds: Facilities for New Drugs Search. Bull. Natl. Center Biologically Active Compounds (Rus.). 1990, No. 1, 4-25.
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(1990)
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Burov, Yu.V.1
Poroikov, V.V.2
Korolchenko, L.V.3
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16
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0000992784
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Chemical similarity assessment through multilevel neighborhoods of atoms: Definition and comparison with the other descriptors
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Filimonov, D.; Poroikov, V.; Borodina, Yu.; Gloriozova, T. Chemical Similarity Assessment Through Multilevel Neighborhoods of Atoms: Definition and Comparison with the Other Descriptors. J. Chem. Inf. Comput. Sci. 1999, 39, 666-670.
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(1999)
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, vol.39
, pp. 666-670
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Filimonov, D.1
Poroikov, V.2
Borodina, Yu.3
Gloriozova, T.4
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17
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0013059416
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Computer-assisted prediction of biological activity in a search for and optimization of new drugs
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Iridium Press: Moscow
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Poroikov, V. V.; Filimonov D. A. Computer-assisted prediction of biological activity in a search for and optimization of new drugs. In Nitrogen-containing heterocycles and alcaloides, Iridium Press: Moscow, 2001; Vol. 1, pp 149-154.
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Poroikov, V.V.1
Filimonov, D.A.2
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18
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0013103680
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P-32C
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Suchkov, A. P.; Filimonov, D. A.; Stepanchikova, A. V; Poroikov, V. V. Abstr. 11th European Symposium on Quantitative Structure-Activity Relationships: Computer-Assisted Lead Finding and Optimisation: Lausanne, Switzerland, 1996; P-32C.
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Abstr. 11th European Symposium on Quantitative Structure-Activity Relationships: Computer-Assisted Lead Finding and Optimisation: Lausanne, Switzerland, 1996
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Suchkov, A.P.1
Filimonov, D.A.2
Stepanchikova, A.V.3
Poroikov, V.V.4
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19
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0035913046
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Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS)
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Anzali, S.; Barnickel, G.; Cezanne, B.; Krug, M.; Filimonov, D.; Poroikov, V. Discriminating between Drugs and Nondrugs by Prediction of Activity Spectra for Substances (PASS). J. Med. Chem. 2001, 44, 2432-2437.
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Anzali, S.1
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Krug, M.4
Filimonov, D.5
Poroikov, V.6
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21
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0013153901
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http://www.ibmh.msk.su/PASS.
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22
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0035237681
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Top 200 medicines: Can new actions be discovered through computer-aided prediction?
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Poroikov, V.; Akimov, D.; Shabelnikova, E.; Filimonov, D. Top 200 medicines: can new actions be discovered through computer-aided prediction? SAR QSAR Environ. Res. 2001, 12(4), 327-344.
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Poroikov, V.1
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Filimonov, D.4
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23
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0013103681
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MDL Information Systems, Inc., San Leandro, CA
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MDL Information Systems, Inc., San Leandro, CA; http://www.mdli.com.
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24
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0013108366
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note
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i = 1, but there would be no real information in the predictions.
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25
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0034320172
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Robustness of biological activity predicting by computer program PASS for noncongeneric sets of chemical compounds
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Poroikov, V. V.; Filimonov, D. A.; Borodina, Yu. V.; Lagunin, A. A.; Kos A. J. Robustness of biological activity predicting by computer program PASS for noncongeneric sets of chemical compounds. J. Chem. Info. Comput. Sci. 2000, 40, 1349-1355.
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Poroikov, V.V.1
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Lagunin, A.A.4
Kos, A.J.5
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26
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0033737778
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PASS: Prediction of activity spectra for biologically active substances
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Lagunin, A.; Stepanchikova, A.; Filimonov, D.; Poroikov, V. PASS: Prediction of Activity Spectra for Biologically Active Substances. Bioinformatics 2000, 16, 747-748.
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Bioinformatics
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Lagunin, A.1
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27
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0013060394
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http://dtp.nci.nih.gov/docs/aids/aids_data.html.
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