-
1
-
-
33751547539
-
How many drug targets are there?
-
DOI 10.1038/nrd2199, PII NRD2199
-
Overington, J. P., Al-Lazikani, B. & Hopkins, A. L. How many drug targets are there? Nature Rev. Drug. Discov. 5, 993-996 (2006). (Pubitemid 44835126)
-
(2006)
Nature Reviews Drug Discovery
, vol.5
, Issue.12
, pp. 993-996
-
-
Overington, J.P.1
Al-Lazikani, B.2
Hopkins, A.L.3
-
2
-
-
21444435047
-
Application of pharmaceutical profiling assays for optimization of drug-like properties
-
Li, D. & Kerns, E. H. Application of pharmaceutical profiling assays for optimization of druglike properties. Curr. Opin. Drug Discov. Devel. 8, 495-504 (2005). (Pubitemid 40917411)
-
(2005)
Current Opinion in Drug Discovery and Development
, vol.8
, Issue.4
, pp. 495-504
-
-
Di, L.1
Kerns, E.H.2
-
3
-
-
33947691728
-
Driving earlier clinical attrition: if you want to find the needle, burn down the haystack. Considerations for biomarker development
-
DOI 10.1016/j.drudis.2007.02.004, PII S1359644607000566
-
Peck, R. W. Driving earlier clinical attrition: if you want to find the needle, burn down the haystack. Considerations for biomarker development. Drug Discov. Today 12, 289-294 (2006). (Pubitemid 46486663)
-
(2007)
Drug Discovery Today
, vol.12
, Issue.7-8
, pp. 289-294
-
-
Peck, R.W.1
-
4
-
-
77649234756
-
How to improve R&D productivity: The pharmaceutical industry's grand challenge
-
Paul, S. M. et al. How to improve R&D productivity: the pharmaceutical industry's grand challenge. Nature Rev. Drug Discov. 9, 203-214 (2010).
-
(2010)
Nature Rev. Drug Discov.
, vol.9
, pp. 203-214
-
-
Paul, S.M.1
-
5
-
-
19944399431
-
A comprehensive listing of bioactivation pathways of organic functional groups
-
DOI 10.2174/1389200054021799
-
Kalgutkar, A. S. et al. A comprehensive listing of bioactivation pathways of organic functional groups. Curr. Drug Metabol. 6, 161-225 (2005). (Pubitemid 40753853)
-
(2005)
Current Drug Metabolism
, vol.6
, Issue.3
, pp. 161-225
-
-
Kalgutkar, A.S.1
Gardner, I.2
Obach, R.S.3
Shaffer, C.L.4
Callegari, E.5
Henne, K.R.6
Mutlib, A.E.7
Dalvie, D.K.8
Lee, J.S.9
Nakai, Y.10
O'Donnell, J.P.11
Boer, J.12
Harriman, S.P.13
-
6
-
-
61649109015
-
The influence of lead discovery strategies on the properties of drug candidates
-
Keseru, G. M. & Makara, G. M. The influence of lead discovery strategies on the properties of drug candidates. Nature Rev. Drug Discov. 8, 203-212 (2009).
-
(2009)
Nature Rev. Drug Discov.
, vol.8
, pp. 203-212
-
-
Keseru, G.M.1
Makara, G.M.2
-
7
-
-
33646125891
-
Lessons from the drug discovery of lapatinib, a dual ErbB1/2 tyrosine kinase inhibitor
-
Lackey, K. Lessons from the drug discovery of lapatinib, a dual ErbB1/2 tyrosine kinase inhibitor. Curr. Topics Med. Chem. 6, 435-460 (2006).
-
(2006)
Curr. Topics Med. Chem.
, vol.6
, pp. 435-460
-
-
Lackey, K.1
-
8
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
DOI 10.1016/S0169-409X(96)00423-1, PII S0169409X96004231
-
Lipinski, C. A., Lombardo, F., Dominy, B. W. & Feeney, P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Deliv. Rev. 23, 3-25 (1997). (Pubitemid 27046991)
-
(1997)
Advanced Drug Delivery Reviews
, vol.23
, Issue.1-3
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
9
-
-
0033576601
-
The design of leadlike combinatorial libraries
-
DOI 10.1002/(SICI)1521-3773(19991216)38:24<3743::AID-ANIE3743>3.0. CO;2-U
-
Teague, S. J., Davis, A. M., Leeson, P. D &, Oprea. T. The design of leadlike combinatorial libraries. Angew. Chem. Int. Ed. 38, 3743-3748 (1999). (Pubitemid 30022004)
-
(1999)
Angewandte Chemie - International Edition
, vol.38
, Issue.24
, pp. 3743-3748
-
-
Teague, S.J.1
Davis, A.M.2
Leeson, P.D.3
Oprea, T.4
-
10
-
-
0035324944
-
Molecular complexity and its impact on the probability of finding leads for drug discovery
-
Hann, M. M., Leach, A. R. & Harper, G. Molecular complexity and its impact on the probability of finding leads for drug discovery. J. Chem. Inf. Comput. Sci. 41, 856-864 (1999).
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 856-864
-
-
Hann, M.M.1
Leach, A.R.2
Harper, G.3
-
11
-
-
13344282654
-
Drug-like properties: Guiding principles for design - Or chemical prejudice?
-
DOI 10.1016/j.ddtec.2004.11.005, PII S1740674904000538
-
Leeson, P. D., Davis, A. M. & Steele, J. Drug-like properties: guiding principles for design - or chemical prejudice? Drug Discov. Today 1, 189-195 (2004). (Pubitemid 40197566)
-
(2004)
Drug Discovery Today: Technologies
, vol.1
, Issue.3
, pp. 189-195
-
-
Leeson, P.D.1
Davis, A.M.2
Steele, J.3
-
12
-
-
4644301831
-
Molecular properties that influence oral drug-like behavior
-
Lajiness, M. S., Vieth, M. & Erickson, J. Molecular properties that influence oral drug-like behaviour. Curr. Opin. Drug Disc. Devel. 7, 470-477 (2004). (Pubitemid 44383553)
-
(2004)
Current Opinion in Drug Discovery and Development
, vol.7
, Issue.4
, pp. 470-477
-
-
Lajiness, M.S.1
Vieth, M.2
Erickson, J.3
-
13
-
-
2942564021
-
Pursuing the leadlikeness concept in pharmaceutical research
-
DOI 10.1016/j.cbpa.2004.04.003, PII S1367593104000493
-
Hann, M. M. & Oprea, T. I. Pursuing the leadlikeness concept in pharmaceutical research. Curr. Opin. Chem. Biol. 8, 255-263 (2004). (Pubitemid 38759400)
-
(2004)
Current Opinion in Chemical Biology
, vol.8
, Issue.3
, pp. 255-263
-
-
Hann, M.M.1
Oprea, T.I.2
-
14
-
-
9744232909
-
Time-related differences in the physical property profiles of oral drugs
-
DOI 10.1021/jm049717d
-
Leeson, P. D. & Davis, A. M. Time-related differences in the physical property profiles of oral drugs. J. Med. Chem. 47, 6338-6348 (2004). (Pubitemid 39587257)
-
(2004)
Journal of Medicinal Chemistry
, vol.47
, Issue.25
, pp. 6338-6348
-
-
Leeson, P.D.1
Davis, A.M.2
-
15
-
-
33646115186
-
Biological assay challenges from compound solubility: Strategies for bioassay optimization
-
Li, D. & Kerns, E. H. Biological assay challenges from compound solubility: strategies for bioassay optimization. Drug Discov. Today 11, 446-451 (2006).
-
(2006)
Drug Discov. Today
, vol.11
, pp. 446-451
-
-
Li, D.1
Kerns, E.H.2
-
16
-
-
33644867602
-
Improving the hit-to-lead process: Data-driven assessment of drug-like and lead-like screening hits
-
DOI 10.1016/S1359-6446(05)03700-1, PII S1359644605037001
-
Wunberg, T. et al. Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hits. Drug Discov. Today 11, 175-180 (2006). (Pubitemid 43375969)
-
(2006)
Drug Discovery Today
, vol.11
, Issue.3-4
, pp. 175-180
-
-
Wunberg, T.1
Hendrix, M.2
Hillisch, A.3
Lobell, M.4
Meier, H.5
Schmeck, C.6
Wild, H.7
Hinzen, B.8
-
17
-
-
33747761215
-
Avoiding physicochemical artefacts in early ADME-Tox experiments
-
DOI 10.1016/j.drudis.2006.07.012, PII S1359644606002881
-
De Witte, R. S. Avoiding physicochemical artefacts in early ADME-Tox experiments. Drug Discov. Today 11, 855-859 (2006). (Pubitemid 44280028)
-
(2006)
Drug Discovery Today
, vol.11
, Issue.17-18
, pp. 855-859
-
-
DeWitte, R.S.1
-
18
-
-
35748934487
-
The influence of drug-like concepts on decision-making in medicinal chemistry
-
DOI 10.1038/nrd2445, PII NRD2445
-
Leeson, P. & Springthorpe, B. The influence of drug-like concepts on decision-making in medicinal chemistry. Nature Rev. Drug Discov. 6, 881-890 (2007). (Pubitemid 350042396)
-
(2007)
Nature Reviews Drug Discovery
, vol.6
, Issue.11
, pp. 881-890
-
-
Leeson, P.D.1
Springthorpe, B.2
-
19
-
-
16344389354
-
The evolution of synthetic oral drug properties
-
DOI 10.1016/j.bmcl.2004.12.024
-
Proudfoot, J. The evolution of synthetic oral drug properties. Bioorg. Med. Chem. Lett. 15, 1087-1090 (2005). (Pubitemid 40467436)
-
(2005)
Bioorganic and Medicinal Chemistry Letters
, vol.15
, Issue.4
, pp. 1087-1090
-
-
Proudfoot, J.R.1
-
20
-
-
69949109727
-
Using the Golden Triangle to optimize clearance and oral absorption
-
Johnson, T. J., Dress, K. R. & Edwards, M. Using the Golden Triangle to optimize clearance and oral absorption. Bioorg. Med. Chem. Lett. 19, 5560-5564 (2009).
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 5560-5564
-
-
Johnson, T.J.1
Dress, K.R.2
Edwards, M.3
-
21
-
-
65449179589
-
Defining optimum lipophilicity and molecular weight ranges for drug candidates - Molecular weight dependent lower logD limits based on permeability
-
Waring, M. J. Defining optimum lipophilicity and molecular weight ranges for drug candidates - molecular weight dependent lower logD limits based on permeability. Bioorg. Med. Chem. Lett. 19, 2844-2851 (2009).
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 2844-2851
-
-
Waring, M.J.1
-
22
-
-
1942453243
-
Ligand efficiency: A useful metric for lead selection
-
DOI 10.1016/S1359-6446(04)03069-7, PII S1359644604030697
-
Hopkins, A. L., Groom C. R. & Alex, A. Ligand efficiency: a useful metric for lead selection. Drug Discov. Today 9, 430-431 (2004). (Pubitemid 38510559)
-
(2004)
Drug Discovery Today
, vol.9
, Issue.10
, pp. 430-431
-
-
Hopkins, A.L.1
Groom, C.R.2
Alex, A.3
-
23
-
-
39749181550
-
Generation of a set of simple, interpretable ADMET rules of thumb
-
DOI 10.1021/jm701122q
-
Gleeson, M. P. Generation of a set of simple, interpretable ADMET rules of thumb. J. Med. Chem. 51, 817-834 (2008). (Pubitemid 351304691)
-
(2008)
Journal of Medicinal Chemistry
, vol.51
, Issue.4
, pp. 817-834
-
-
Gleeson, M.P.1
-
25
-
-
0035438391
-
Is there a difference between leads and drugs? A historical perspective
-
Oprea, T. I., Davis, A. M., Teague, S. J. & Leeson, P. D. Is there a difference between leads and drugs? A historical perspective. J. Chem. Inf. Comput. Sci. 41, 1308-1315 (2001).
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1308-1315
-
-
Oprea, T.I.1
Davis, A.M.2
Teague, S.J.3
Leeson, P.D.4
-
26
-
-
33845364148
-
Fragment-based drug design: How big is too big?
-
Hadjuk, P. J. Fragment-based drug design: how big is too big? J. Med. Chem. 49, 6972-6976 (2006)
-
(2006)
J. Med. Chem.
, vol.49
, pp. 6972-6976
-
-
Hadjuk, P.J.1
-
27
-
-
0037468884
-
A comparison of physiochemical property profiles of development and marketed oral drugs
-
DOI 10.1021/jm021053p
-
Wenlock, M. C., Austin, R. P., Barton, P., Davis, A. M. & Leeson P. D. A comparison of physiochemical property profiles of development and marketed oral drugs. J. Med. Chem. 46, 1250-1256 (2003). (Pubitemid 36428230)
-
(2003)
Journal of Medicinal Chemistry
, vol.46
, Issue.7
, pp. 1250-1256
-
-
Wenlock, M.C.1
Austin, R.P.2
Barton, P.3
Davis, A.M.4
Leeson, P.D.5
-
28
-
-
72149091750
-
Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds
-
Tyrchana, C., Blomberga, N., Engkvista, O., Kogeja, T. & Muresan, S. Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds. Bioorg. Med. Chem. Lett. 19, 6943-6947 (2009).
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 6943-6947
-
-
Tyrchana, C.1
Blomberga, N.2
Engkvista, O.3
Kogeja, T.4
Muresan, S.5
-
29
-
-
33947280523
-
Lead-like, drug-like or "Pub-like": How different are they?
-
DOI 10.1007/s10822-007-9105-3
-
Oprea, T. I. et al. Lead-like, drug-like or "pub-like": how different are they? J. Comput. Aided Mol. Des. 21, 113-119 (2007). (Pubitemid 46416670)
-
(2007)
Journal of Computer-Aided Molecular Design
, vol.21
, Issue.1-3
, pp. 113-119
-
-
Oprea, T.I.1
Allu, T.K.2
Fara, D.C.3
Rad, R.F.4
Ostopovici, L.5
Bologa, C.G.6
-
30
-
-
0021745755
-
Functional group contributions to drug-receptor interactions
-
DOI 10.1021/jm00378a021
-
Andrews, P. R., Craik, D. J. & Martin J. L. Functional group contributions to drug-receptor interactions. J. Med. Chem. 27, 1648-1657 (1984). (Pubitemid 15177908)
-
(1984)
Journal of Medicinal Chemistry
, vol.27
, Issue.12
, pp. 1648-1657
-
-
Andrews, P.R.1
Craik, D.J.2
Martin, J.L.3
-
31
-
-
0033621044
-
The maximal affinity of ligands
-
DOI 10.1073/pnas.96.18.9997
-
Kuntz, I. D., Chen, K., Sharp, K. A. & Kollman P. A. The maximal affinity of ligands. Proc. Natl Acad. Sci. USA 96, 9997-10002 (1999). (Pubitemid 29422500)
-
(1999)
Proceedings of the National Academy of Sciences of the United States of America
, vol.96
, Issue.18
, pp. 9997-10002
-
-
Kuntz, I.D.1
Chen, K.2
Sharp, K.A.3
Kollman, P.A.4
-
32
-
-
17044403086
-
Ligand efficiency indices as guideposts for drug discovery
-
Abad-Zapatero, C. & Metz, J. T. Ligand efficiency indices as guideposts for drug discovery. Drug Discov. Today 10, 464-469 (2005).
-
(2005)
Drug Discov. Today
, vol.10
, pp. 464-469
-
-
Abad-Zapatero, C.1
Metz, J.T.2
-
33
-
-
77950560159
-
An analysis of the binding efficiencies of drugs and their leads in successful drug discovery programs
-
Perola, E. An analysis of the binding efficiencies of drugs and their leads in successful drug discovery programs. J. Med. Chem. 53, 2986-2997 (2010).
-
(2010)
J. Med. Chem.
, vol.53
, pp. 2986-2997
-
-
Perola, E.1
-
34
-
-
29144483936
-
Predicting protein druggability
-
DOI 10.1016/S1359-6446(05)03624-X, PII S135964460503624X
-
Hadjuk, P. J., Huth, J. R. & Tse, C. Predicting protein druggability. Drug Discov. Today 10, 1675-1682 (2005). (Pubitemid 41817616)
-
(2005)
Drug Discovery Today
, vol.10
, Issue.23-24
, pp. 1675-1682
-
-
Hajduk, P.J.1
Huth, J.R.2
Tse, C.3
-
35
-
-
33745126636
-
Dependence of molecular properties on proteomic family for marketed oral drugs
-
DOI 10.1021/jm0603825
-
Vieth, M. & Sutherland J. J. Dependence of molecular properties on proteomic family for marketed oral drugs. J. Med. Chem. 49, 3451-3453 (2009). (Pubitemid 43902452)
-
(2006)
Journal of Medicinal Chemistry
, vol.49
, Issue.12
, pp. 3451-3453
-
-
Vieth, M.1
Sutherland, J.J.2
-
36
-
-
34547140875
-
The human disease network
-
Goh, K. et al. The human disease network. Proc. Natl Acad. Sci. USA 104, 8685-6690 (2007).
-
(2007)
Proc. Natl Acad. Sci. USA
, vol.104
, pp. 8685-6690
-
-
Goh, K.1
-
37
-
-
33845762340
-
Multi-target therapeutics: when the whole is greater than the sum of the parts
-
DOI 10.1016/j.drudis.2006.11.008, PII S1359644606004697
-
Zimmermann. G. R., Lehár, J. & Keith, C. T. Multi-target therapeutics: when the whole is greater than the sum of the parts. Drug Discov. Today 12, 34-42 (2007). (Pubitemid 46014485)
-
(2007)
Drug Discovery Today
, vol.12
, Issue.1-2
, pp. 34-42
-
-
Zimmermann, G.R.1
Lehar, J.2
Keith, C.T.3
-
38
-
-
32344446028
-
Can we rationally design promiscuous drugs?
-
DOI 10.1016/j.sbi.2006.01.013, PII S0959440X06000157
-
Hopkins A. L., Mason, J. S. & Overington, J. P. Can we rationally design promiscuous drugs? Curr. Opin. Struct. Biol. 16, 127-136 (2006). (Pubitemid 43221881)
-
(2006)
Current Opinion in Structural Biology
, vol.16
, Issue.1
, pp. 127-136
-
-
Hopkins, A.L.1
Mason, J.S.2
Overington, J.P.3
-
39
-
-
33846574259
-
Fragments, network biology and designing multiple ligands
-
DOI 10.1016/j.drudis.2006.12.006, PII S1359644606004892
-
Morphy, R. & Rankovic, Z. Fragments, network biology and designing multiple ligands. Drug Discov. Today 12, 156-160 (2007). (Pubitemid 46176667)
-
(2007)
Drug Discovery Today
, vol.12
, Issue.3-4
, pp. 156-160
-
-
Morphy, R.1
Rankovic, Z.2
-
40
-
-
35248817286
-
Modeling promiscuity based on in vitro safety pharmacology profiling data
-
Azzaoui, K. et al. Modeling promiscuity based on in vitro safety pharmacology profiling data. Chem. Med. Chem. 2, 874-880.
-
Chem. Med. Chem.
, vol.2
, pp. 874-880
-
-
Azzaoui, K.1
-
41
-
-
65549132575
-
Pharmacological promiscuity: Dependence on compound properties and target specificity in a set of recent Roche compounds
-
Peters, J. U., Schnider, P., Mattei, P. & Kansy, M. Pharmacological promiscuity: dependence on compound properties and target specificity in a set of recent Roche compounds. Chem. Med. Chem. 4, 680-186 (2009).
-
(2009)
Chem. Med. Chem.
, vol.4
, pp. 680-186
-
-
Peters, J.U.1
Schnider, P.2
Mattei, P.3
Kansy, M.4
-
42
-
-
19944405127
-
Components of successful lead generation
-
DOI 10.2174/1568026053828411
-
Davis, A. M., Keeling, D. J., Steele, J., Tomkinson, N. P. & Tinker, A. C. Components of successful lead generation. Curr. Topics Med. Chem. 5, 421-439 (2005). (Pubitemid 40753878)
-
(2005)
Current Topics in Medicinal Chemistry
, vol.5
, Issue.4
, pp. 421-439
-
-
Davis, A.M.1
Keeling, D.J.2
Steele, J.3
Tomkinson, N.P.4
Tinker, A.C.5
-
43
-
-
33646715920
-
The influence of target family and functional activity on the physicochemical properties of pre-clinical compounds
-
Morphy, R. The influence of target family and functional activity on the physicochemical properties of pre-clinical compounds. J. Med. Chem. 49, 2969-2978 (2006).
-
(2006)
J. Med. Chem.
, vol.49
, pp. 2969-2978
-
-
Morphy, R.1
-
44
-
-
34548792895
-
Evaluation of human pharmacokinetics, therapeutic dose and exposure predictions using marketed oral drugs
-
DOI 10.2174/138920007780866799
-
McGinnity, D. F., Collington, J., Austin, R. P. & Riley, R. J. Evaluation of human pharmacokinetics, therapeutic dose and exposure predictions using marketed oral drugs. Curr. Drug Metab. 8, 463-479 (2007). (Pubitemid 47603410)
-
(2007)
Current Drug Metabolism
, vol.8
, Issue.5
, pp. 463-479
-
-
McGinnity, D.F.1
Collington, J.2
Austin, R.P.3
Riley, R.J.4
-
45
-
-
70449526541
-
Assessment of the blood-brain barrier in CNS drug discovery
-
Jeffrey, P. & Summerfield, S. Assessment of the blood-brain barrier in CNS drug discovery. Neurobiol. Dis. 37, 33-37 (2010).
-
(2010)
Neurobiol. Dis.
, vol.37
, pp. 33-37
-
-
Jeffrey, P.1
Summerfield, S.2
-
46
-
-
33644756715
-
Improving the in vitro prediction of in vivo central nervous system penetration: Integrating permeability, P-glycoprotein efflux, and free fractions in blood and brain
-
DOI 10.1124/jpet.105.092916
-
Summerfield, S. G. et al. Improving the in vitro prediction of in vivo central nervous system penetration: integrating permeability, P-glycoprotein efflux, and free fractions in blood and brain. J. Pharmacol. Exp. Ther. 316, 1282-1290 (2006). (Pubitemid 43345304)
-
(2006)
Journal of Pharmacology and Experimental Therapeutics
, vol.316
, Issue.3
, pp. 1282-1290
-
-
Summerfield, S.G.1
Stevens, A.J.2
Cutler, L.3
Osuna, M.D.C.4
Hammond, B.5
Tang, S.-P.6
Hersey, A.7
Spalding, D.J.8
Jeffrey, P.9
-
47
-
-
63849337048
-
Receptor occupancy and brain free fraction
-
Watson, J. et al. Receptor occupancy and brain free fraction. Drug. Metab. Dispos. 37, 753-760 (2009).
-
(2009)
Drug. Metab. Dispos.
, vol.37
, pp. 753-760
-
-
Watson, J.1
-
48
-
-
35148824614
-
Network pharmacology
-
DOI 10.1038/nbt1007-1110, PII NBT10071110
-
Hopkins, A. L. Network pharmacology. Nature Biotech. 11, 1110-1111 (2007). (Pubitemid 47538107)
-
(2007)
Nature Biotechnology
, vol.25
, Issue.10
, pp. 1110-1111
-
-
Hopkins, A.L.1
-
49
-
-
35148838537
-
Drug-target network
-
DOI 10.1038/nbt1338, PII NBT1338
-
Yildirim, M. A., Goh, K. I., Cusick, M. E., Barabasi, A. L. & Vidal, M. Drug-target network. Nature Biotech. 25, 1119-1126 (2007). (Pubitemid 47538114)
-
(2007)
Nature Biotechnology
, vol.25
, Issue.10
, pp. 1119-1126
-
-
Yildirim, M.A.1
Goh, K.-I.2
Cusick, M.E.3
Barabasi, A.-L.4
Vidal, M.5
-
50
-
-
54249155522
-
Network pharmacology: The next paradigm in drug discovery
-
Hopkins, A. L. Network pharmacology: the next paradigm in drug discovery. Nature Chem. Biol. 4, 682-690 (2008).
-
(2008)
Nature Chem. Biol.
, vol.4
, pp. 682-690
-
-
Hopkins, A.L.1
-
51
-
-
72949101438
-
Structure and organization of drug-target networks: Insights from genomic approaches for drug discovery
-
Janga, S. C. & Tzakos, A. Structure and organization of drug-target networks: insights from genomic approaches for drug discovery. Mol. Biosyst. 5, 1536-1548 (2009).
-
(2009)
Mol. Biosyst.
, vol.5
, pp. 1536-1548
-
-
Janga, S.C.1
Tzakos, A.2
-
52
-
-
0141726877
-
'Rule of Three' for fragment-based lead discovery?
-
Congreve, M. A 'Rule of Three' for fragment-based lead discovery? Drug Discov. Today 8, 876-877 (2003).
-
(2003)
Drug Discov. Today
, vol.8
, pp. 876-877
-
-
Congreve, M.A.1
-
53
-
-
33748325882
-
Drug-target residence time and its implications for lead optimization
-
DOI 10.1038/nrd2082, PII NRD2082
-
Copeland, R. A., Pompliano, D. L. & Meek, T. D. Drug-target residence time and its implications for lead optimization. Nature Rev. Drug Discov. 5, 730-739 (2006). (Pubitemid 44323700)
-
(2006)
Nature Reviews Drug Discovery
, vol.5
, Issue.9
, pp. 730-739
-
-
Copeland, R.A.1
Pompliano, D.L.2
Meek, T.D.3
-
54
-
-
4344645978
-
Can the pharmaceutical industry reduce attrition rates?
-
Kola, I. & Landis, J. Can the pharmaceutical industry reduce attrition rates? Nature Rev. Drug Discov. 3, 711-715 (2004). (Pubitemid 39173511)
-
(2004)
Nature Reviews Drug Discovery
, vol.3
, Issue.8
, pp. 711-715
-
-
Kola, I.1
Landis, J.2
-
55
-
-
77949269509
-
Reaching out to collaborators: Crowdsourcing for pharmaceutical research
-
Ekins, S. & Williams, A. J. Reaching out to collaborators: crowdsourcing for pharmaceutical research. Pharm. Res. 27, 393-395 (2010).
-
(2010)
Pharm. Res.
, vol.27
, pp. 393-395
-
-
Ekins, S.1
Williams, A.J.2
-
56
-
-
58149136373
-
Are the chemical structures in your QSAR correct?
-
Young, D., Martin, T., Venkatapathy, R. & Harten, P. Are the chemical structures in your QSAR correct? QSAR Comb. Sci. 27, 1337-1345 (2008).
-
(2008)
QSAR Comb. Sci.
, vol.27
, pp. 1337-1345
-
-
Young, D.1
Martin, T.2
Venkatapathy, R.3
Harten, P.4
-
57
-
-
78049349961
-
Trust but verify: On the importance of chemical structure cheminformatics and QSAR modeling research
-
Fourches, D., Muratov, E. & Tropsha, A. Trust, but verify: on the importance of chemical structure cheminformatics and QSAR modeling research. J. Chem. Inf. Model. 50, 1189-1204 (2010).
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 1189-1204
-
-
Fourches, D.1
Muratov, E.2
Tropsha, A.3
-
58
-
-
0141992797
-
The discovery of tadalafil: A novel and highly selective PDE5 inhibitor. 1: 5,6,11,11a-Tetrahydro-1H-imidazo[1',5' :1,6]pyrido[3,4-b]indole-1,3(2H)-dione analogues
-
DOI 10.1021/jm030056e
-
Daugan, A. et al. The discovery of tadalafil: a novel and highly selective PDE5 inhibitor. 1:5,6,11,11a-tetrahydro-1H-imidazo[1'5':1,6] pyrido[3,4-b]indole-1,3(2H)-dione analogues. J. Med. Chem. 46, 4525-4532 (2003). (Pubitemid 37238753)
-
(2003)
Journal of Medicinal Chemistry
, vol.46
, Issue.21
, pp. 4525-4532
-
-
Daugan, A.1
Grondin, P.2
Ruault, C.3
Le Monnier De Gouville, A.-C.4
Coste, H.5
Kirilovsky, J.6
Hyafil, F.7
Labaudiniere, R.8
-
59
-
-
0026597449
-
Simple method of calculating octanol/ water partition coefficient
-
Moriguchi, I., Hirono, S., Liu, Q., Nakagome, I. & Matsushita, Y. Simple method of calculating octanol/ water partition coefficient. Chem. Pharm. Bull. 40, 127-130 (1992).
-
(1992)
Chem. Pharm. Bull.
, vol.40
, pp. 127-130
-
-
Moriguchi, I.1
Hirono, S.2
Liu, Q.3
Nakagome, I.4
Matsushita, Y.5
|