QSAR Analysis of Rocaglamide Derivatives Cytotoxic Activities Using LFER Hansch Model

Cytotoxic rocaglamide derivatives from Aglaia duppereana.

Phytochemical investigation of Aglaia duppereana flowers led to the isolation of a new rocaglamide derivative and twelve known congeners. The structure of the new compound was unambiguously elucidated by spectroscopic techniques (1D- and 2D-NMR, HRESIMS). The isolated compounds exhibited a potent cytotoxic activity against mouse lymphoma (L5178Y) cells with EC50 values ranging from 5.1 to 54.8 nM.

QSAR : Hansch Analysis and Related Approaches

In tribute to Corwin Hansch, father of QSAR

In this issue of Journal of Computer-Aided Molecular Design we pay tribute to Corwin Hansch, who died on May 8 at the age of 91. Professor Hansch (Corwin to almost everyone, at his insistence) was a giant in our field, the ‘father’ of QSAR, and the vanguard of rational drug design. Thanks to his long-time colleague and coworker, Cynthia Selassie, also of Pomona College, we are, with sadness, pu...

From Hansch-Fujita Analysis to AFMoC: A Road to Structure-Based QSAR.

Since the pioneering effort of Hansch and Fujita, quantitative structure-activity relationships (QSAR) have proved valuable in optimizing lead structures. Enriching classical 3D-QSAR analysis, which exploits the three-dimensional structure of ligands, with structural information of the target has helped to improve the interpretability of the derived models and to increase their predictive power...

analysis of ruin probability for insurance companies using markov chain

در این پایان نامه نشان داده ایم که چگونه می توان مدل ریسک بیمه ای اسپیرر اندرسون را به کمک زنجیره های مارکوف تعریف کرد. سپس به کمک روش های آنالیز ماتریسی احتمال برشکستگی ، میزان مازاد در هنگام برشکستگی و میزان کسری بودجه در زمان وقوع برشکستگی را محاسبه کرده ایم. هدف ما در این پایان نامه بسیار محاسباتی و کاربردی تر از روش های است که در گذشته برای محاسبه این احتمال ارائه شده است. در ابتدا ما نشا...