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Volumn 42, Issue 5, 2002, Pages 1136-1145

Application of associative neural networks for prediction of lipophilicity in ALOGPS 2.1 program

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATIVE NEURAL NETWORKS (ASNN); LIPOPHILICITY;

EID: 0036757804     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci025515j     Document Type: Article
Times cited : (571)

References (35)
  • 1
    • 0004016311 scopus 로고    scopus 로고
    • CogPrints Archive, cog00001441
    • Tetko, I.V. Associative Neural Network, CogPrints Archive, cog00001441, available as http://cogprints.soton.ac.uk/documents/disk0/00/00/14/41/index.html, 2001.
    • (2001) Associative Neural Network
    • Tetko, I.V.1
  • 2
    • 0036784472 scopus 로고    scopus 로고
    • Associative Neural Network
    • in press
    • Tetko, I.V. Associative Neural Network. Neur. Proc. Lett. 2002, in press.
    • (2002) Neur. Proc. Lett.
    • Tetko, I.V.1
  • 3
    • 0036557849 scopus 로고    scopus 로고
    • Neural Network Studies - 4. Introduction to Associative Neural Networks
    • Tetko, I.V. Neural Network Studies. 4. Introduction to Associative Neural Networks. J. Chem. Inf. Comput. Sci. 2002, 42, 717-728.
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , pp. 717-728
    • Tetko, I.V.1
  • 4
    • 0032619322 scopus 로고    scopus 로고
    • Reliable assessment of LogP of compounds of pharmaceutical relevance
    • Gombar, V.K. Reliable Assessment of LogP of Compounds of Pharmaceutical Relevance. SAR QSAR Environ. Res. 1999, 10, 371-380.
    • (1999) SAR QSAR Environ. Res. , vol.10 , pp. 371-380
    • Gombar, V.K.1
  • 5
    • 0035273631 scopus 로고    scopus 로고
    • Internet software for the calculation of the lipophilicity and aqueous solubility of chemical compounds
    • Tetko, I.V.; Tanchuk, V.Y.; Kasheva, T.N.; Villa, A.E.P. Internet Software for the Calculation of the Lipophilicity and Aqueous Solubility of Chemical Compounds. J. Chem. Inf. Comput. Sci. 2001, 41, 246-252.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 246-252
    • Tetko, I.V.1    Tanchuk, V.Y.2    Kasheva, T.N.3    Villa, A.E.P.4
  • 6
    • 0035470269 scopus 로고    scopus 로고
    • Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices
    • Tetko, I.V.; Tanchuk, V.Y.; Villa, A.E.P. Prediction of n-Octanol/Water Partition Coefficients from PHYSPROP Database Using Artificial Neural Networks and E-state Indices. J. Chem. Inf. Comput. Sci. 2001, 41, 1407-1421.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 1407-1421
    • Tetko, I.V.1    Tanchuk, V.Y.2    Villa, A.E.P.3
  • 7
    • 0035526162 scopus 로고    scopus 로고
    • Estimation of aqueous solubility of chemical compounds. Using E-state indices
    • Tetko, I.V.; Tanchuk, V.Y.; Kasheva, T.N.; Villa, A.E.P. Estimation of Aqueous Solubility of Chemical Compounds. Using E-state Indices. J. Chem. Inf. Comput. Sci. 2001, 41, 1488-1493.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 1488-1493
    • Tetko, I.V.1    Tanchuk, V.Y.2    Kasheva, T.N.3    Villa, A.E.P.4
  • 8
    • 0031277422 scopus 로고    scopus 로고
    • Efficient partition of learning data sets for neural network training
    • Tetko, I.V.; Villa, A.E.P. Efficient Partition of Learning Data Sets for Neural Network Training. Neural Networks 1997, 10, 1361-1374.
    • (1997) Neural Networks , vol.10 , pp. 1361-1374
    • Tetko, I.V.1    Villa, A.E.P.2
  • 9
  • 10
    • 0011445424 scopus 로고    scopus 로고
    • BioByte Corp., 201 W. Fourth Street, Claremont, CA
    • BioByte Corp., 201 W. Fourth Street, Claremont, CA.
  • 11
    • 0033820007 scopus 로고    scopus 로고
    • Calculating partition coefficient by atom-additive methodol
    • Wang, R.; Gao, Y.; Lai, L. Calculating Partition Coefficient by Atom-Additive Methodol. Persp. Drug Discov. Design 2000, 19, 47-66.
    • (2000) Persp. Drug Discov. Design , vol.19 , pp. 47-66
    • Wang, R.1    Gao, Y.2    Lai, L.3
  • 12
    • 0029881470 scopus 로고    scopus 로고
    • Synthesis and hypolipidemic activities of novel 2-[4-[diethoxyphosphoryl)methyl]phenyl]quinazolines and 4(3H)-quinazolinones
    • Kurogi, Y.; Inoue, Y.; Tsutsumi, K.; Nakamura, S.; Nagao, K.; Yoshitsugu, H.; Tsuda, Y. Synthesis and Hypolipidemic Activities of Novel 2-[4-[diethoxyphosphoryl)methyl]phenyl]quinazolines and 4(3H)-quinazolinones. J. Med. Chem. 1996, 39, 1433-1437.
    • (1996) J. Med. Chem. , vol.39 , pp. 1433-1437
    • Kurogi, Y.1    Inoue, Y.2    Tsutsumi, K.3    Nakamura, S.4    Nagao, K.5    Yoshitsugu, H.6    Tsuda, Y.7
  • 13
  • 14
    • 0001447184 scopus 로고
    • Neural network studies - 1. Comparison of overfitting and overtraining
    • Tetko, I.V.; Livingstone, D.J.; Luik, A.I. Neural Network Studies. 1. Comparison of Overfitting and Overtraining. J. Chem. Inf. Comput. Sci. 1995, 35, 826-833.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 826-833
    • Tetko, I.V.1    Livingstone, D.J.2    Luik, A.I.3
  • 15
    • 0027513960 scopus 로고
    • Applications of neural networks in structure-sctivity relationships of a small number of molecules
    • Tetko, I.V.; Luik, A.I.; Poda, G.I. Applications of Neural networks in Structure-Sctivity Relationships of a Small Number of Molecules. J. Med. Chem. 1993, 36, 811-814.
    • (1993) J. Med. Chem. , vol.36 , pp. 811-814
    • Tetko, I.V.1    Luik, A.I.2    Poda, G.I.3
  • 19
    • 0025155575 scopus 로고
    • An electrotopological-state index for atoms in molecules
    • Kier, L.B.; Hall, L.H. An Electrotopological-State Index for Atoms in Molecules. Pharm. Res. 1990, 7, 801-807.
    • (1990) Pharm. Res. , vol.7 , pp. 801-807
    • Kier, L.B.1    Hall, L.H.2
  • 20
    • 0029404240 scopus 로고
    • Electrotopological state indices for atom types - A novel combination of electronic, topological, and valence state information
    • Hall, L.H.; Kier, L.B. Electrotopological State Indices for Atom Types - a Novel Combination of Electronic, Topological, and Valence State Information. J. Chem. Inf. Comput. Sci. 1995, 35, 1039-1045.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 1039-1045
    • Hall, L.H.1    Kier, L.B.2
  • 22
    • 0031276492 scopus 로고    scopus 로고
    • On the distribution of performance from multiple neural-network trials
    • Lawrence, S.; Back, A.D.; Tsoi, A.C.; Giles, C.L. On the Distribution of Performance from Multiple Neural-Network Trials. IEEE Trans. Neur. Netw. 1997, 8, 1507-1517.
    • (1997) IEEE Trans. Neur. Netw. , vol.8 , pp. 1507-1517
    • Lawrence, S.1    Back, A.D.2    Tsoi, A.C.3    Giles, C.L.4
  • 23
    • 0016939390 scopus 로고
    • The distance-weighted k-nearest-neighbor rule
    • Dudani, S.A. The Distance-Weighted k-Nearest-Neighbor Rule. IEEE Trans. Sys. Man Cyber. 1976, SMC-6, 325-327.
    • (1976) IEEE Trans. Sys. Man Cyber. , vol.SMC-6 , pp. 325-327
    • Dudani, S.A.1
  • 25
    • 0034108841 scopus 로고    scopus 로고
    • Calculating log P(oct) with no missing fragments; The problem of estimating new interaction parameters
    • Leo, A.J.; Hoekman, D. Calculating log P(oct) with no Missing Fragments; The problem of Estimating New Interaction Parameters. Persp. Drug Discov. Design 2000, 18, 19-38.
    • (2000) Persp. Drug Discov. Design , vol.18 , pp. 19-38
    • Leo, A.J.1    Hoekman, D.2
  • 26
    • 0029585123 scopus 로고
    • Atom/fragment contribution method for estimating octanol-water partition coefficients
    • Meylan, W.M.; Howard, P.H. Atom/Fragment Contribution Method for Estimating Octanol-Water Partition Coefficients. J. Pharm. Sci. 1995, 84, 83-92.
    • (1995) J. Pharm. Sci. , vol.84 , pp. 83-92
    • Meylan, W.M.1    Howard, P.H.2
  • 29
    • 0033514474 scopus 로고    scopus 로고
    • Spatiotemporal activity patterns of rat cortical neurons predict responses in a conditioned task
    • Villa, A.E.P.; Tetko, I.V.; Hyland, B.; Najem, A. Spatiotemporal Activity Patterns of Rat Cortical Neurons Predict Responses in a Conditioned Task. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 1106-1111.
    • (1999) Proc. Natl. Acad. Sci. U.S.A. , vol.96 , pp. 1106-1111
    • Villa, A.E.P.1    Tetko, I.V.2    Hyland, B.3    Najem, A.4
  • 30
    • 0029821128 scopus 로고    scopus 로고
    • A neuronal learning rule for sub-millisecond temporal coding
    • Gerstner, W.; Kempter, R.; van Hemmen, J.L.; Wagner, H. A Neuronal Learning Rule for Sub-Millisecond Temporal Coding. Nature 1996, 383, 76-81.
    • (1996) Nature , vol.383 , pp. 76-81
    • Gerstner, W.1    Kempter, R.2    Van Hemmen, J.L.3    Wagner, H.4
  • 31
    • 0035970040 scopus 로고    scopus 로고
    • A pattern grouping algorithm for analysis of spatiotemporal patterns in neuronal spike trains - 1. Detection of repeated patterns
    • Tetko, I.V.; Villa, A.E.P. A Pattern Grouping Algorithm for Analysis of Spatiotemporal Patterns in Neuronal Spike Trains. 1. Detection of Repeated Patterns. J. Neurosci. Methods 2001, 105, 1-14.
    • (2001) J. Neurosci. Methods , vol.105 , pp. 1-14
    • Tetko, I.V.1    Villa, A.E.P.2
  • 32
    • 0035970080 scopus 로고    scopus 로고
    • A pattern grouping algorithm for analysis of spatiotemporal patterns in neuronal spike trains - 2. Application to simultaneous single unit recordings
    • Tetko, I.V.; Villa, A.E.P. A Pattern Grouping Algorithm for Analysis of Spatiotemporal Patterns in Neuronal Spike Trains. 2. Application to Simultaneous Single Unit Recordings. J. Neurosci. Methods 2001, 105, 15-24.
    • (2001) J. Neurosci. Methods , vol.105 , pp. 15-24
    • Tetko, I.V.1    Villa, A.E.P.2
  • 33
    • 85047681116 scopus 로고    scopus 로고
    • What is a moment? Transient synchrony as a collective mechanism for spatiotemporal integration
    • Hopfield, J.J.; Brody, C.D. What is a moment? Transient Synchrony as a Collective Mechanism for Spatiotemporal Integration. Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 1282-1287.
    • (2001) Proc. Natl. Acad. Sci. U.S.A. , vol.98 , pp. 1282-1287
    • Hopfield, J.J.1    Brody, C.D.2
  • 34
    • 0029895137 scopus 로고    scopus 로고
    • Speed of processing in the human visual system
    • Thorpe, S.; Fize, D.; Marlot, C. Speed of Processing in the Human Visual System. Nature 1996, 381, 520-522.
    • (1996) Nature , vol.381 , pp. 520-522
    • Thorpe, S.1    Fize, D.2    Marlot, C.3
  • 35
    • 0032211499 scopus 로고    scopus 로고
    • Rate coding versus temporal order coding: A theoretical approach
    • Gautrais, J.; Thorpe, S. Rate Coding Versus Temporal Order Coding: A Theoretical Approach. Biosystems 1998, 48, 57-65.
    • (1998) Biosystems , vol.48 , pp. 57-65
    • Gautrais, J.1    Thorpe, S.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.