Chemical Informatics

Research Article: Chem Inform (7)

A Web-based Graphic User Interface of PML for Machine Learning in Parallel Running Head: A Webbased GUI of PML for Machine Learning

Author(s): Runyu Jing, Rong Li, Xuemei Pu, Menglong Li

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Research Article: Chem Inform (8)

Screening Constitutional Isomers of C3H2O2 for Thermodynamic Properties Obtained from Systematic Electron Structure Calculations

Author(s): Ramkissoon C, Szorad JJ, Ragyanszki A, Gerlei KZ, Fiser B, Szori M, Csizmadia IG, Knak Jensen SJ, Viskolcz B

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Research Article: Chem Inform (9)

FT-IR, NBO, MEP, NLO and Molecular Docking Studies of 8-Epi-9-Deoxy Goniopypyrone

Author(s): Sreelekshmi PB, Harikumar B, Resmi KS, Sheena Mary Y, Yohannan Panicker C, Van Alsenoy C

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Research Article: Chem Inform (10)

QSAR Studies of Some Synthetic Structurally Related Androstene Derivatives as Anti-Inflammatory Agents

Author(s): Sonal Dubey and Poonam Piplani

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Research Article: Chem Inform (11)

Structure-Activity Relationships/Tendencies Found in Several Anti-HIV Nicavir Derivatives Using DFT Quantum Chemical Methods

Author(s): Alcolea Palafox M

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Review Article: Chem Inform (12)

Efficient Internet Searches for Chemists

Author(s): Alexander Kos and Hans-J?rgen Himmler

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Research Article: Chem Inform (13)

Structure Homology Modeling of Thaumetopoein, an Urticating Protein from Thaumetopoea pityocampa Schiff, Using SWISS-MODEL Workspace

Author(s): Djillali Tahri,Mohammed Seba and Khedidja Benarous

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Research Article: Chem Inform (14)

Ligand Based Pharmacophore Modeling, Virtual Screening and Molecular Docking for Identification of Novel CYP51 Inhibitors

Author(s): Sarvesh Kumar P, Aarti Singh, Swapnil Sharma, Mukta Sharma and Anupama Mittal

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