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Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?
Good AC, Oprea TI. Good AC, et al. Among authors: oprea ti. J Comput Aided Mol Des. 2008 Mar-Apr;22(3-4):169-78. doi: 10.1007/s10822-007-9167-2. Epub 2008 Jan 9. J Comput Aided Mol Des. 2008. PMID: 18188508
Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors.
Oprea TI, García AE. Oprea TI, et al. J Comput Aided Mol Des. 1996 Jun;10(3):186-200. doi: 10.1007/BF00355042. J Comput Aided Mol Des. 1996. PMID: 8808736
Virtual screening applications: a study of ligand-based methods and different structure representations in four different scenarios.
Hristozov DP, Oprea TI, Gasteiger J. Hristozov DP, et al. Among authors: oprea ti. J Comput Aided Mol Des. 2007 Oct-Nov;21(10-11):617-40. doi: 10.1007/s10822-007-9145-8. Epub 2007 Nov 16. J Comput Aided Mol Des. 2007. PMID: 18008169
Surrogate data--a secure way to share corporate data.
Tetko IV, Abagyan R, Oprea TI. Tetko IV, et al. Among authors: oprea ti. J Comput Aided Mol Des. 2005 Sep-Oct;19(9-10):749-64. doi: 10.1007/s10822-005-9013-3. Epub 2005 Nov 3. J Comput Aided Mol Des. 2005. PMID: 16267691
Descriptor collision and confusion: toward the design of descriptors to mask chemical structures.
Bologa C, Allu TK, Olah M, Kappler MA, Oprea TI. Bologa C, et al. Among authors: oprea ti. J Comput Aided Mol Des. 2005 Sep-Oct;19(9-10):625-35. doi: 10.1007/s10822-005-9020-4. Epub 2005 Dec 2. J Comput Aided Mol Des. 2005. PMID: 16322910
Distant collaboration in drug discovery: the LINK3D project.
Pastor M, Benedetti P, Carotti A, Carrieri A, Díaz C, Herráiz C, Höltje HD, Loza MI, Oprea T, Padín F, Pubill F, Sanz F, Stoll F; LINK3D Consortium. Pastor M, et al. J Comput Aided Mol Des. 2002 Nov;16(11):809-18. doi: 10.1023/a:1023884712617. J Comput Aided Mol Des. 2002. PMID: 12825793
Property distribution of drug-related chemical databases.
Oprea TI. Oprea TI. J Comput Aided Mol Des. 2000 Mar;14(3):251-64. doi: 10.1023/a:1008130001697. J Comput Aided Mol Des. 2000. PMID: 10756480
Obituary: Toshio Fujita, QSAR pioneer.
Akamatsu M, Oprea TI. Akamatsu M, et al. Among authors: oprea ti. J Comput Aided Mol Des. 2017 Nov;31(11):959-960. doi: 10.1007/s10822-017-0078-6. Epub 2017 Nov 8. J Comput Aided Mol Des. 2017. PMID: 29119351
Current trends in lead discovery: are we looking for the appropriate properties?
Oprea TI. Oprea TI. J Comput Aided Mol Des. 2002 May-Jun;16(5-6):325-34. doi: 10.1023/a:1020877402759. J Comput Aided Mol Des. 2002. PMID: 12489682
Lead-like, drug-like or "Pub-like": how different are they?
Oprea TI, Allu TK, Fara DC, Rad RF, Ostopovici L, Bologa CG. Oprea TI, et al. J Comput Aided Mol Des. 2007 Jan-Mar;21(1-3):113-9. doi: 10.1007/s10822-007-9105-3. Epub 2007 Feb 28. J Comput Aided Mol Des. 2007. PMID: 17333482 Free PMC article.
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