Vali Zare-Shahabadi
Department of Chemistry, Mahshahr Branch, Islamic Azad University, Mahshahr 63519, Iran
[ 1 ] - Synthesis of open chain analogue of 1,8-dioxooctahydroxanthene catalyzed by aluminosilicate MCM- 41
In this study, aluminosilicate MCM-41 has been found to be an efficient catalyst for reaction betweendifferent benzaldehyde derivatives and 5,5-dimethyl-1,3-cyclohexanedione to give open chain analogue of1,8-dioxo-octahydroxanthene in excellent yields. No evidence for the formation of cyclization products wasobserved. The catalyst can be used several times after recovery.
[ 2 ] - Prediction of toxicity of aliphatic carboxylic acids using adaptive neuro-fuzzy inference system
Toxicity of 38 aliphatic carboxylic acids was studied using non-linear quantitative structure-toxicityrelationship (QSTR) models. The adaptive neuro-fuzzy inference system (ANFIS) was used to construct thenonlinear QSTR models in all stages of study. Two ANFIS models were developed based upon differentsubsets of descriptors. The first one used log ow K and LUMO E as inputs and had good predicti...
[ 3 ] - Prediction of melting points of a diverse chemical set using fuzzy regression tree
The classification and regression trees (CART) possess the advantage of being able to handlelarge data sets and yield readily interpretable models. In spite to these advantages, they are alsorecognized as highly unstable classifiers with respect to minor perturbations in the training data.In the other words methods present high variance. Fuzzy logic brings in an improvement in theseaspects due ...
[ 4 ] - بررسی معیارهای متفاوت برای منظم کردن اجزاهای اصلی به منظور ایجاد یک مدل QSPR برای پیش بینی نقطه های ذوب
براساس اهمیت پیش بینی نقطه های ذوب ترکیب ها، در این مقاله سعی شد که برای دسته وسیعی از ترکیب ها مدل مناسبی که توانایی پیش بینی نقطه های ذوب را در حد مطلوبی داشته باشد، ارایه شود. برای این منظور 4173 ترکیب شیمیایی با ساختارهای متنوع گزارش شده در مقاله های قبلی، انتخاب و برای توصیف ساختار آن ها از یک دسته 202 تایی از توصیفکننده های 2D و 3D استفاده شد. این دسته داده ها به دو دسته آموزش و دسته ...
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