424
P. M. Vassiliev et al.
fied pharmacologists. A considerable number of novel pharmacologic compounds
were discovered with the help of IT Microcosm; these compounds have subsequently been patented. The technology was implemented in the form of the IT Microcosm
software package that consists of 20 basic computer programs and a number of
auxiliary utilities. The free computer program Microcosm White was developed
separately. The software is available upon request to any interested persons.
References
1. Aivazyan SA, Buchstaber VM, Yenyukov IS et al (1989) Applied statistic: classification and
reduction of dimensionality. Finansy i statistika, Moscow
2. Altunin AE, Semukhin MV (2000) Models and algorithms of decision making in fuzzy conditions. Izd-vo TyumenGU, Tyumen
3. Anisimova VA, Kuz’menko TA, Spasov AA et al (1999) Synthesis and study of the hypotensive and antiarrhythmic activity of 2,9-disubstitued 3-alkoxycarbonyl-imidazo[1,2-a]benzimidazoles. Pharm Chem J 33(7):361–365
4. Anisimova VA, Spasov AA, Kucheryavenko AF et al (2002) Synthesis and pharmacological
activity of 2-(hetaryl)-imidazo[1,2-a]benzimidazoles. Pharm Chem J 36(10):528–534
5. Anisimova VA, Kosolapov VA, Minkin VI et al (2008) Dihydrobromide of
2-(3,4-dihydroxyphenyl)-9-diethylaminoethyl-imidazo[1,2-a]benzimidazole and a pharmaceutical composition based on it. Patent RU 2391979, 12 May 2008
6. Anisimova VA, Spasov AA, Kosolapov VA et al (2010) Sulfates of 2-aryl-4-dialkylaminoethyl-3-phenyl-pyrrolo[1,2-a]benzimidazoles with antioxidant and antiradical properties. Patent
RU 2443704, 29 Oct 2010
7. Ayrton A, Morgan P (2008) Role of transport proteins in drug discovery and development: a
pharmaceutical perspective. Xenobiotica 38(7–8):676–708
8. Baskin II, Varnek A (2008) Fragment descriptors in SAR/QSAR/QSPR studies. In:Varnek A,
Tropsha A (eds) Chemoinformatics approaches to virtual screening. Royal Society of Chemistry, Cambridge, pp 1–43
9. Baskin II, Palyulin VA, Zefirov NS (2008) Neural networks in building QSAR models. Methods Mol Biol 458:137–158
10. Baurin N, Mozziconacci JC, Arnoult E et al (2004) 2D QSAR consensus prediction for highthroughput virtual screening. An application to COX-2 inhibition modeling and screening of
the NCI database. J Chem Inf Comput Sci 44(1):276–285
11. Bemis GW, Murcko MM (1996) The properties of known drugs. 1. Molecular frameworks. J
Med Chem 39(15):2887–2893
12. Born GV (1962) Aggregation of blood platelets by adenosine diphosphate and its reversal.
Nature 194:927–929
13. Boser BE, Guyon IM, Vapnik VN (1992) A training algorithm for optimal margin classifiers.
In: Proceedings of the fifth Annual ACM workshop on computational learning theory. ACM
Press, New York, pp 144–152
14. Buccafusco JI (ed) (2001) Methods of behavior analysis in neuroscience. CRC Press, New
York
15. Butov GM, Vassiliev PM, Parshin GYu et al (2006) Computer prediction of biologic activity
of novel adamantane derivatives using information technology Microcosm. Bull Volgogr Res
Cent RAMS 2:5–6
16. Butov GM, Vassiliev PM, Parshin GYu et al (2007) Synthesis, computer prediction and experimental testing of biological activity of new adamantane derivatives. In: Proceeding of the
III Congress of Pharmacologists of Russia “Pharmacology—practical health”, Saint Petersburg, 23–27 Sept 2007. Psycopharmacol biol narcol 7:1627
P. M. Vassiliev et al.
fied pharmacologists. A considerable number of novel pharmacologic compounds
were discovered with the help of IT Microcosm; these compounds have subsequently been patented. The technology was implemented in the form of the IT Microcosm
software package that consists of 20 basic computer programs and a number of
auxiliary utilities. The free computer program Microcosm White was developed
separately. The software is available upon request to any interested persons.
References
1. Aivazyan SA, Buchstaber VM, Yenyukov IS et al (1989) Applied statistic: classification and
reduction of dimensionality. Finansy i statistika, Moscow
2. Altunin AE, Semukhin MV (2000) Models and algorithms of decision making in fuzzy conditions. Izd-vo TyumenGU, Tyumen
3. Anisimova VA, Kuz’menko TA, Spasov AA et al (1999) Synthesis and study of the hypotensive and antiarrhythmic activity of 2,9-disubstitued 3-alkoxycarbonyl-imidazo[1,2-a]benzimidazoles. Pharm Chem J 33(7):361–365
4. Anisimova VA, Spasov AA, Kucheryavenko AF et al (2002) Synthesis and pharmacological
activity of 2-(hetaryl)-imidazo[1,2-a]benzimidazoles. Pharm Chem J 36(10):528–534
5. Anisimova VA, Kosolapov VA, Minkin VI et al (2008) Dihydrobromide of
2-(3,4-dihydroxyphenyl)-9-diethylaminoethyl-imidazo[1,2-a]benzimidazole and a pharmaceutical composition based on it. Patent RU 2391979, 12 May 2008
6. Anisimova VA, Spasov AA, Kosolapov VA et al (2010) Sulfates of 2-aryl-4-dialkylaminoethyl-3-phenyl-pyrrolo[1,2-a]benzimidazoles with antioxidant and antiradical properties. Patent
RU 2443704, 29 Oct 2010
7. Ayrton A, Morgan P (2008) Role of transport proteins in drug discovery and development: a
pharmaceutical perspective. Xenobiotica 38(7–8):676–708
8. Baskin II, Varnek A (2008) Fragment descriptors in SAR/QSAR/QSPR studies. In:Varnek A,
Tropsha A (eds) Chemoinformatics approaches to virtual screening. Royal Society of Chemistry, Cambridge, pp 1–43
9. Baskin II, Palyulin VA, Zefirov NS (2008) Neural networks in building QSAR models. Methods Mol Biol 458:137–158
10. Baurin N, Mozziconacci JC, Arnoult E et al (2004) 2D QSAR consensus prediction for highthroughput virtual screening. An application to COX-2 inhibition modeling and screening of
the NCI database. J Chem Inf Comput Sci 44(1):276–285
11. Bemis GW, Murcko MM (1996) The properties of known drugs. 1. Molecular frameworks. J
Med Chem 39(15):2887–2893
12. Born GV (1962) Aggregation of blood platelets by adenosine diphosphate and its reversal.
Nature 194:927–929
13. Boser BE, Guyon IM, Vapnik VN (1992) A training algorithm for optimal margin classifiers.
In: Proceedings of the fifth Annual ACM workshop on computational learning theory. ACM
Press, New York, pp 144–152
14. Buccafusco JI (ed) (2001) Methods of behavior analysis in neuroscience. CRC Press, New
York
15. Butov GM, Vassiliev PM, Parshin GYu et al (2006) Computer prediction of biologic activity
of novel adamantane derivatives using information technology Microcosm. Bull Volgogr Res
Cent RAMS 2:5–6
16. Butov GM, Vassiliev PM, Parshin GYu et al (2007) Synthesis, computer prediction and experimental testing of biological activity of new adamantane derivatives. In: Proceeding of the
III Congress of Pharmacologists of Russia “Pharmacology—practical health”, Saint Petersburg, 23–27 Sept 2007. Psycopharmacol biol narcol 7:1627