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Results: 1-25/95
Authors:
Poroikov, V
Akimov, D
Shabelnikova, E
Filimonov, D
Citation: V. Poroikov et al., Top 200 medicines: Can new actions be discovered through computer-aided prediction?, SAR QSAR EN, 12(4), 2001, pp. 327-344
Authors:
Veselovsky, AV
Tikhonova, OV
Skvortsov, VS
Medvedev, AE
Ivanov, AS
Citation: Av. Veselovsky et al., An approach for visualization of the active site of enzymes with unknown three-dimensional structures, SAR QSAR EN, 12(4), 2001, pp. 345-358
Authors:
Lisitsa, AV
Gusev, SA
Karuzina, II
Archakov, AI
Koymans, L
Citation: Av. Lisitsa et al., Cytochrome P450 database, SAR QSAR EN, 12(4), 2001, pp. 359-366
Authors:
Raevsky, OA
Citation: Oa. Raevsky, Molecular lipophilicity calculations of chemically heterogeneous chemicalsand drugs on the basis of structural similarity and physicochemical parameters, SAR QSAR EN, 12(4), 2001, pp. 367-381
Authors:
Milchevsky, JV
Ramensky, VE
Esipova, NG
Tumanyan, VG
Zorov, BS
Citation: Jv. Milchevsky et al., Molecular modelling of disease-causing single-nucleotide polymorphisms in collagen, SAR QSAR EN, 12(4), 2001, pp. 383-399
Authors:
Baskin, II
Halberstam, NM
Mukhina, TV
Palyulin, VA
Zefirov, NS
Citation: Ii. Baskin et al., The learned symmetry concept in revealing quantitative structure-activity relationships with artificial neural networks, SAR QSAR EN, 12(4), 2001, pp. 401-416
Authors:
Zefirov, N
Poroikov, V
Raevsky, O
Citation: N. Zefirov et al., Symposium on Bioinformatics and Computer-Aided Drug Discovery - April 12-13, 2000, Moscow, Russia - Preface, SAR QSAR EN, 12(4), 2001, pp. I-II
Authors:
Katritzky, AR
Jain, R
Petrukhin, R
Denisenko, S
Schelenz, T
Citation: Ar. Katritzky et al., QSAR correlations of the algistatic activity of 5-amino-1-aryl-1H-tetrazoles, SAR QSAR EN, 12(3), 2001, pp. 259-266
Authors:
Rosenkranz, HS
Cunningham, AR
Citation: Hs. Rosenkranz et Ar. Cunningham, SAR modeling of unbalanced data sets, SAR QSAR EN, 12(3), 2001, pp. 267-274
Authors:
Singh, AK
Citation: Ak. Singh, QSAR for the organophosphate-induced inhibition and 'aging' of the enzyme neuropathy target esterase(NTE), SAR QSAR EN, 12(3), 2001, pp. 275-295
Authors:
Jokic, A
Zimpel, Z
Huang, PM
Mezey, PG
Citation: A. Jokic et al., Molecular shape analysis of a Maillard reaction intermediate, SAR QSAR EN, 12(3), 2001, pp. 297-307
Authors:
Estrada, E
Uriarte, E
Citation: E. Estrada et E. Uriarte, Quantitative structure-toxicity relationships using tops-mode. 1. Nitrobenzene toxicity to tetrahymena pyriformis, SAR QSAR EN, 12(3), 2001, pp. 309-324
Authors:
Carpy, AJM
Marchand-Geneste, N
Ouhabi, J
Citation: Ajm. Carpy et al., An ab initio investigation of 2-amino-2-imidazoline: A key moiety in chemical and biochemical processes, SAR QSAR EN, 11(5-6), 2001, pp. 331-343
Physicochemical and graph theoretical descriptors in developmental toxicity SAR: A comparative study
Authors:
Macina, OT
Sussman, NB
Claycamp, HG
Grant, SG
Citation: Ot. Macina et al., Physicochemical and graph theoretical descriptors in developmental toxicity SAR: A comparative study, SAR QSAR EN, 11(5-6), 2001, pp. 345-362
Authors:
Gute, BD
Grunwald, GD
Mills, D
Basak, SC
Citation: Bd. Gute et al., Molecular similarity based estimation of properties: A comparison of structure spaces and property spaces, SAR QSAR EN, 11(5-6), 2001, pp. 363-382
Authors:
Roszak, S
Koski, WS
Kaufman, JJ
Balasubramanian, K
Citation: S. Roszak et al., Structures and electron attachment properties of halomethanes (CXnYm, X=H,F; Y=Cl, Br, I; n=0,4; m=4-n), SAR QSAR EN, 11(5-6), 2001, pp. 383-396
Authors:
Devillers, J
Citation: J. Devillers, A general QSAR model for predicting the acute toxicity of pesticides to Lepomis macrochirus, SAR QSAR EN, 11(5-6), 2001, pp. 397-417
Authors:
Ivanciuc, O
Ivanciuc, T
Klein, DJ
Seitz, WA
Balaban, AT
Citation: O. Ivanciuc et al., Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors, SAR QSAR EN, 11(5-6), 2001, pp. 419-452
Authors:
Spassova, DP
Singh, AK
Citation: Dp. Spassova et Ak. Singh, QSAR for acetylcholinesterase inhibition and toxicity of two classes of phosphoramidothioates, SAR QSAR EN, 11(5-6), 2001, pp. 453-471
Authors:
Bruggemann, R
Pudenz, S
Carlsen, L
Sorensen, PB
Thomsen, M
Mishra, RK
Citation: R. Bruggemann et al., The use of Hasse diagrams as a potential approach for inverse QSAR, SAR QSAR EN, 11(5-6), 2001, pp. 473-487
Authors:
Seward, JR
Cronin, MTD
Schultz, TW
Citation: Jr. Seward et al., Structure-toxicity analyses of Tetrahymena pyriformis exposed to pyridines- An examination into extension of surface-response domains, SAR QSAR EN, 11(5-6), 2001, pp. 489-512
Authors:
Hasegawa, K
Funatsu, K
Citation: K. Hasegawa et K. Funatsu, Partial least squares modeling and genetic algorithm optimization in quantitative structure-activity relationships, SAR QSAR EN, 11(3-4), 2000, pp. 189-209
Authors:
Le Bret, C
Citation: C. Le Bret, A general C-13 NMR spectrum predictor using data mining techniques, SAR QSAR EN, 11(3-4), 2000, pp. 211
Authors:
Yan, A
Chen, X
Zhang, R
Liu, M
Hu, Z
Fan, BT
Citation: A. Yan et al., Predicting the standard enthalpy (triangle H-f(0)) and entropy (S-0) of alkanes by artificial neural networks, SAR QSAR EN, 11(3-4), 2000, pp. 235-244
Authors:
Polanski, J
Citation: J. Polanski, The non-grid technique for modeling 3D QSAR using self-organizing neural network (SOM) and PLS analysis: Application to steroids and colchicinoids, SAR QSAR EN, 11(3-4), 2000, pp. 245