ISSN: 1875-5402 (Online)
ISSN: 1386-2073 (Print)


Volume 18, 10 Issues, 2015


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Combinatorial Chemistry & High Throughput Screening

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Editor-in-Chief:
Rathnam Chaguturu
iDDPartners, 3 Edith Court
Princeton Junction
NJ 08550
USA


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Current: 1.222
5 - Year: 1.517

Upcoming Articles (E-Pub Abstracts ahead of Print)

QSAR Analysis of Some Antagonists for p38 map kinase Using Combination of Principal Component Analysis and Artificial Intelligence


Elham Doosti, Mohsen Shahlaei and Armin Madadkar Sobhani.


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Application of Multivariate Linear and Nonlinear Calibration and Classification Methods in Drug Design


Azizeh Abdolmaleki, Jahan B. Ghasemi, Fereshteh Shiri and Somayeh Pirhadi.


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3D-QSAR analysis of MCD inhibitors by CoMFA and CoMSIA


Eslam Pourbasheer, Reza Aalizadeh, Amin Ebadi and Mohammad Reza Ganjali.


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Acute and subchronic toxicity studies on safety assessment of Paecilomyces tenuipes N45 extracts


Linna Du, Yan Liu, Chungang Liu, Qingfan Meng, Jingjing Song, Di Wang, Jiahui Lu, Lirong Teng, Yulin Zhou and Lesheng Teng.


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Artificial Neural Network Methods Applied to Drug Discovery for Neglected Diseases


Luciana Scotti, Hamilton Ishiki, Francisco J. B. Mendonca Junior, Marcelo S. da Silva and Marcus T Scotti.


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Bio-AIMS Collection of Chemoinformatics Web Tools based on Molecular Graph Information and Artificial Intelligence Models


Cristian R. Munteanu, Humberto Gonzalez-Diaz, Rafael Garcia, Mabel Loza and Alejandro Pazos.


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Chemometrics-assisted Spectrofluorimetric Determination of Two Co-administered Drugs of Major Interaction, Methotrexate and Aspirin, in Human Urine Following Acid-induced Hydrolysis


Hadir M. Maher, Marwa A.A. Ragab and Eman I El-Kimary.


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Classification of natural estrogen-like isoflavonoids and diphenolics by QSAR tools


Feng Luan, Yuxi Lu, Huitao Liu and M Natalia D S Cordeiro.


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Near Infrared Spectroscopic Combined with Partial Least Squares and Radial Basis Function Neural Network to Analyze Paclitaxel Concentration in Rat Plasma


Gaoyang Xing, Jiaming Cao, Di Wanga, Jia Song, Jia-hui Lu, Qing-fan Meng, Guodong Yan, Di Wang and Le-sheng Teng.


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Discovery of Natural Product-derived 5-HT1A Receptor Binders by Cheminfomatics Modeling of Known Binders, High Throughput Screening and Experimental Validation


Man Luo, Terry-Elinor Reid and Xiang Simon Wang.


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Design and Development of ChemInfoCloud: An Integrated Cloud Enabled Platform for Virtual Screening


Muthukumarasamy Karthikeyan, Deepak Pandit, Arvind Bhavasar and Renu Vyas.


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MegaMiner: A tool for lead identification through text mining using chemoinformatics tools and cloud computing environment


Muthukumarasamy Karthikeyan, Yogesh Pandit, Deepak Pandit and Renu Vyas.


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Prediction of bioactive compounds using computed NMR chemical shifts


Muthukumarasamy Karthikeyan, Pattuparambil Ramanpillai Rajamohanan and Renu Vyas.


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Role of Chemical Reactivity and Transition State Modeling for Virtual Screening


Muthukumarasamy Karthikeyan, Renu Vyas, S.S. Tambe, Deepthi Radhamohan and BD Kulkarni.


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Chemoinformatics approach for building molecular networks from marine organisms


M. Karthikeyan, Deepika Nimje, Rakhi Pahujani, Kushal Tyagi, Sanket Bapat, Renu Vyas and K Padmakumar.


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Pharmacophore and docking based virtual screening of validated Mycobacterium


Renu Vyas, Muthukumarasamy Karthikeyan, Ganesh Nainaru and Muthukrishnan M.


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Protein ligand complex guided approach for virtual screening


Karthikeyan M, Deepak Pandit and Renu Vyas.


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A Study of Applications of Machine Learning Based Classification methods for Virtual Screening of Lead Molecules


Renu Vyas, Sanket Bapat, Esha Jain, Sanjeev S. Tambe, M. Karthikeyan and BD Kulkarni.


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ChemScreener: A Distributed Computing Tool for Scaffold based Virtual Screening


Muthukumarasamy Karthikeyan, Deepak Pandit and Renu Vyas.


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Role of open source tools and resources in virtual screening for drug discovery


Muthukumarasamy Karthikeyan and Renu Vyas.


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Synthesis and Biological Evaluation of Hexahydropyrrolo[2,3-b]indole Derivatives as Fungicides against Phytopathogenic Fungi


Jili Feng, Miaofeng Ma, Ruoxin Li, Shu–Wei Chen and Hui Xu.


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Resisting the resistance in cancer: Cheminformatics studies on short-path base excision repair pathway antagonists using supervised learning approaches


Ritu Jain, Salma Jamal, Sukriti Goyal, Divya Wahi, Aditi Singh and Abhinav Grover.


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Simple and Efficient Route toward Ambient Preparation of Pyrimido[b]quinolinetriones using Copper (I) Iodide Nanoparticles in Aqueous Media


Shahrzad Abdolmohammadi and Zahra Aghaei-Meybodi.


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Synthesis of 9H-furo [2,3-f]chromene derivatives by promoting of ZnO nanoparticles


Faramar Rostami-Charati, Zinatossadat Hossaini, Fatemeh Sheykholeslami-Farahani, Zahra Azizi and Seyyed Amir Siadati.


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Design, synthesis, in silico and in vitro studies of substituted 1, 2, 3, 4-tetrahydro pyrimidine phosphorus derivatives


Kilaru Ravendra Babu, Yellapu Nanda Kumar, Aminedi Raghavendra, Venukadasula Phanindra, Kuruva Chandra Sekhar, Golla Madhava, Nuchu Ravi, Matcha Bhaskar and Chamarthi Naga Raju.


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Ultrasonic Assisted Synthesis of Chromenes Catalyzed by Sodium Carbonate in Aqueous Media


Maryam Sabbaghan and Pegah Sofalgar.


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