In silico ADME 및 Pharmacokinetics

References

1. Drug Disc. Today v.2 Managing the drug kennedy, T
2. Curr. Opin.Drug. Discovery Dev v.3 no.1 High-throughput screeing for lead optimization: A rational arroach Bajpai, M;Adkison, K. K.
3. Curr. Opin.Drug. Discovery Dev v.5 no.1 High-Throughput and in silico techniques in drug metabolism and pharmacokinetics van de Waterbeemd, H
4. Persp. Drug Disc. Des v.18 The hydrophobic fragmental constant approach for calculation logP in octanol/water and aliphatic hydrocarbon/water systems Mannhold, R;Pekker, R. F
6. Pharm. Res v.16 no.10 Polar molecular surface as a dominating determinant for oral absorption and brain penetration of drugs Kelder, J;Grootenhuis, P. D;Bayada, D. M;Delbressine, L. P;Pleomen, J. P
7. J. Med. Chem v.43 Prediction of drug absorption using multivariate statistics Egan, W. J;Merz, K. M;Baldwin, J. J
8. Drug Metab. Dispos v.28 Three-and four-dimensional quantiative structure-activity relationship(3D/$D-QSAR) analyses of CYP2C9 inhibitors Ekins, S;Bravi, G;Binkley, S;Gillespie J. S;Ring, B. J.;Wikel, J. H;Wrighton, S. A
9. J. Med. Chem v.42 Novel approach to predicting P450-mediated drug metabolism: Development of a combined protein and pharmacophore model of CYP2D6 De Groot, M. J;Ackland, M. J;Home, V. A;Alex, A. A.;Jones, B. C
10. Drug Metabolism, Databases and High Throughput Testing During Drug Design and Development Darvas, F;Marokhazi, S.;Kormos, P;Kulkarni, G;Kalasz, H;Papp, A
11. Drug Metabolism, Databases and High Throughput Testing During Drug Design and Development Klopman, G;Tu, M
12. Adv. Drug Deliv. Rev v.23 Experimental and computational approaches to estimate solubility and permeability in drug discovery and development setting Lipinski, C. A;Lombardo, F;Dominy, B. W;Feeney, P. J.
13. J. Comp.-Aided Mol. Des. v.14 Property distribution of drug-related chemical databases Oprea, T. I
14. J. Comb. Chem v.1 A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases Ghose, A. K;Viswanadhan, V. N.;Wendoloski, J. J
15. J. Chem. Inf. Comput. Sci. v.38 Identification of biological activity profiles using substructural analysis and genetic algorithms Gillet, V. J.;Willett, P.;Bradshaw, J.
16. J. Med. Chem. v.41 Can we learn to distinguish between "drug-like" and "nondrug-like" molecules? Ajay, W;Walter, P.;Mucrko, M. A
17. J. Chem. Inf. Comput. Sci. v.40 Potential drugs and nondrugs: prediction and identification of important structural features Wagener, M.;van Greerestein V. J.
18. Bioinformatics & Molecular Design Technology Innovation Center(BMD-TIC) PreADME
19. Angew. Chem. Int. Ed. v.38 the design of leadike combinatorial libraries Teqgue, S.J;Davis, A. M.;Leeson, P. D.;Oprea, T.
20. Combinatorial library Design and Evaluation in Combinatorial library design and evaluation Tools for designing diverse, druglike, cost-effective combinatorial libraries; Brown, R. D.;Hassan, M.;Waldman, M.