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All Journal Jurnal Penelitian Saintek Jurnal Ilmiah Farmasi EKSAKTA: Journal of Sciences and Data Analysis Jurnal Teknoin Reaktor Jurnal Ilmu Dasar Jurnal technoscientia Bulletin of Chemical Reaction Engineering & Catalysis Journal of Mathematical and Fundamental Sciences Science and Technology Indonesia Indonesian Journal of Chemistry Molekul: Jurnal Ilmiah Kimia ASEAN Journal of Chemical Engineering Acta Chimica Asiana JURNAL TEKNOLOGI TECHNOSCIENTIA IJCR (Indonesian Journal of Chemical Research) Jurnal Pijar MIPA Khazanah: Jurnal Mahasiswa Bulletin of Chemical Reaction Engineering & Catalysis
Is Fatimah
Department Of Chemistry, Islamic University Of Indonesia, Jl. Kaliurang KM 14.5 Sleman Yogyakarta 55584
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Journal : Jurnal Ilmu Dasar

 1 
Analysis of Quantitative Structure and Solubility Relationship for Organophospate Active Compounds Linear Model and Cluster Model Approach Is Fatimah; Jaka Nugraha
Jurnal ILMU DASAR Vol 8 No 1 (2007)
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Jember

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Abstract

Study on quantitative solubility and structure relationship of organophospate pesticide has been conducted. Aim of this research is to analyze relationship between characteristic physical properties (water solubility) of pesticide with molecular structure by a model that can be used to predict physical properties of new compound proposed to be pesticide compound. Analysis was done for 52 organopospate compounds and its water solubility data. The model predicted by 39 fagmental descriptor based on spesific structure of organophospate compound. Analysis used in modeling are cluster analysis, one way analysis of variance (ANOVA) and regression analysis. Result show water solubility of the pesticide compound positive effect by functional group of P=O, N-primer and C=O in the structure. Functional group of S (sulphur), fen (phenil) , C-aromatic, C1-C2, C3-C4, C5-C6, Ortho Aromatic, P=S, C-Cl and log(Mr) decrease water solubility. The model resulted by regression analysis using stepwise and best subset method is : Ln(1+watsol) = 11.0 - 0.352 n C (aromatic) - 5.41 n (P=S) - 1.55 n (C-Cl), F-value = 32.43 (sign. 0,000) , R2 = 0.67 dan S=2.643. The model can be used to predict the organoposphate water solubility.Keywords : QSPR, ANOVA, regression analysis, organophospate pesticide
Co-Authors - Rostyanesia Ahmad Said Ahmad Said Allwar Allwar Amri Yahya Arif Hidayat Arjek, Orien Claudia Handayani Arvina Adil Asep Abdurrahman Bambang Hernawan Nugroho Cicik Rahmawati Daud, Muhammad Fauzi Dian Riyanti Diyan Kurniaysih Dwi Gusti Apriliani Dwi Nur Halimah Dwi Nur Halimah Dwiarso Rubianto Dwiarso Rubiyanto Dwiki Ramanda, Galih Eko Sugiharto Endah Desiyani Faiha Ulfiyani Zaenuri Farah Liyana Bohari Fauziyyah, Anas Zahra Fethi Kooli Fitriani Harjati Galih Dwiki Ramanda Getu Kassegn Weldegebrieal Getu Kassegn Weldegebrieal Gusti Dwi Apriliani Habibi Hidayat Habibi Hidayat, Habibi Haneef, Mehru Nisha Muhamad Hasna' Azizah Azzahra' Hikmah Fatmawati Imam Sahroni Iqmal Tahir Iwan Sumarlan J. Anita Lett Jaka Nugraha Kamalia Kamalia Kamari, Azlan Karna Wijaya Karna Wijaya Karna Wijaya Karna Wijaya Karna Wijaya Karna Wijaya Karna Wijaya Khoirul Himmi Setyawan Khoirunisa khoirunisa Lita Dewi Pertiwi Lolita Narulita Doewandono Minh-Vien Le Mohd Rafie Bin Johan Mohd Rafie Johan Muchammad Tamyiz Nanda Candra Kartika Narsito Narsito Narsito Narsito Narsito Nindia Mega Kurniawati Noor Fitri Nur Afisa Lintang Mutiara Nur Aishah Mohd Noor Nur Nadia Dzulkifli Nurain Adam Nurcahyo Iman Prakoso Nurlaela, Nunung Oh, Won-Chun Orien Claudia Handayani Arjek Pertiwi, Lita Dewi Prihatiningsih Prihatiningsih Prihatiningsih Prihatiningsih, Prihatiningsih Putwi Widya Citradewi Rahmania Audita Rahmawati, Cicik Revita Anggreyani Rico Nurillahi Rico Nurillahi Rico Nurillahi Rifaldi Lutfi Fahmi Riyanto Riyanto Riyanto Riyanto Rohini Pujiarti Rudatiningsih Rudatiningsih Ruey-an Doong Sagadevan, Suresh Septian Perwira Yudha Sesy Ardyanti Shaobin Wang Sheikh Ahmad Izaddin Sheikh Mohd Ghazali Sheikh Ahmad Izaddin Sheikh Mohd Ghazali Solhe F. Alshahateet Sri Sudiono Suci Widianingsih Suresh Sagadevan Suresh Sagadevan Suresh Sagadevan Suresh Sagadevan Suresh Sagadevan Tesha Yuliarni Thorikul Huda Titus Chinedu Egbosiuba Torikul Huda Totok Eka Suharto Tuty Alawiyah Uun Ayil Hasanah Uun Ayyil Hasanah Wellyana Puspitasari Won-Chun Oh Yanti , Ika Yunani, Yuyun Yusak Maryunianta Yuyun Yunani Yuyun Yunani Nurkholifah Zahrah Nur Zakiyah Zakiyah, Zahrah Nur