Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Genevieve D. Paderes"'
Publikováno v:
Methods in molecular biology (Clifton, N.J.). 685
Multiproperty lead optimization that satisfies multiple biological endpoints remains a challenge in the pursuit of viable drug candidates. Optimization of a given lead compound to one having a desired set of molecular attributes often involves a leng
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::517de16c9dc6124a388fab0e8768458a
https://pubmed.ncbi.nlm.nih.gov/20981525
https://pubmed.ncbi.nlm.nih.gov/20981525
Autor:
Ellen R. Laird, Jan M. Fleischer, Scott A. Gothe, Harold E. Helson, Alan J. Gushurst, Shenna Sinclair, Genevieve D. Paderes, William L. Jorgensen
Publikováno v:
ChemInform. 22
An interactive computer program, CAMEO, has been developed to predict products of organic reactions given the starting materials and conditions. The analyses primarily feature mechanistic reasoning and have been extended to cover most of the major cl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::78dfabe13e56eb032b63c055babedc10
https://doi.org/10.1002/chin.199105361
https://doi.org/10.1002/chin.199105361
Publikováno v:
The Journal of Organic Chemistry. 57:1904-1916
The pericyclic module of the computer program CAMEO has been expanded to encompass ene and retro-ene reactions. The implementation of ene chemistry required substantial modifications to the existing algorithm for the estimation of FMO energies as wel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3f6303ec663055b1f11b9425b1db1700
https://doi.org/10.1021/jo00032a054
https://doi.org/10.1021/jo00032a054
Publikováno v:
The Journal of Organic Chemistry. 56:4718-4733
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aeb120a16e5ea9044208a813ffbf3ff4
https://doi.org/10.1021/jo00015a028
https://doi.org/10.1021/jo00015a028
Autor:
Alan J. Gushurst, Genevieve D. Paderes, Jan M. Fleischer, Harold E. Helson, Shenna Sinclair, Ellen R. Laird, William L. Jorgensen, Scott A. Gothe
Publikováno v:
Pure and Applied Chemistry. 62:1921-1932
An interactive computer program, CAMEO, has been developed to predict products of organic reactions given the starting materials and conditions. The analyses primarily feature mechanistic reasoning and have been extended to cover most of the major cl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e54e1351e9b88046e7639b045ae9b889
https://doi.org/10.1351/pac199062101921
https://doi.org/10.1351/pac199062101921
Publikováno v:
The Journal of Organic Chemistry. 54:2058-2085
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::68a1c65c60d4738feec73f07a6aeb784
https://doi.org/10.1021/jo00270a014
https://doi.org/10.1021/jo00270a014
Publikováno v:
ChemInform. 20
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95b459e67adac1658ed06d2ecea28c67
https://doi.org/10.1002/chin.198944120
https://doi.org/10.1002/chin.198944120