Utility of homology models in the drug discovery process

The drug discovery process.

Predicting lipophilicity of drug-discovery molecules using Gaussian process models.

Many drug failures are due to an unfavorable ADMET profile (Absorption, Distribution, Metabolism, Excretion & Toxicity). Lipophilicity is intimately connected with ADMET and in today’s drug discovery process, the octanol water partition coefficient log P and it’s pH dependant counterpart log D have to be taken into account early on in lead discovery. Commercial tools available for ’in silico’ p...

Bioinformatics in the Drug Discovery Process

Introduction ─ Bioinformatics is the part of molecular biology that involves working with biological data, typically using computers, with the goal of enabling and accelerating biological research. It is ubiquitous in drug discovery; few if any projects are computerfree. Bioinformatics spans a wide range of activities: data capture, automated recording of experimental results; data storage and ...

Active Learning in the Drug Discovery Process

We investigate the following data mining problem from Computational Chemistry: From a large data set of compounds, find those that bind to a target molecule in as few iterations of biological testing as possible. In each iteration a comparatively small batch of compounds is screened for binding to the target. We apply active learning techniques for selecting the successive batches. One selectio...

the effect of the record infancy in crimilly acts of guilties (in karaj city)

چکیده یکی از مهمترین دغدغه های بزرگ جوامع بشری، از دیر باز تا کنون که ذهن پژوهشگران و متخصصان بهداشت روانی و اجتماعی و دولتها رابه خود مشغول داشته، مسأله ی بزهکاری می باشد. شناخت کامل پدیده ی بزهکاری و بزهکار، علل وعوامل سقوط یک انسان، چگونگی درمان وی و درنهایت پیشگیری ازبزهکاری ودریک کلام سالم سازی یک جامعه، رسالت عظیم، انسانی ومقدسی می باشد که با بررسی شخصیت مجرم یعنی[ انسانی که تحت شرای...