8:00 PM | | | | 3 | | Managing the pharmaceutical technical intelligence puzzle
Sara Furie | |
8:00 PM | | | | 29 | | Statistical analyses of peptide fragmentation pattern in a tandem mass spectral database
Yingying Huang Joseph M. Triscari, Vicki H. Wysocki, Ljiljana Pasa-Tolic, Gordon A. Anderson, Mary S. Lipton, Richard D. Smith | |
8:00 PM | | | | 45 | | Knowledge mining in formulation databases
Elizabeth A Colbourn Raymond C Rowe, Stephen J Roskilly | |
8:00 PM | | | | 47 | | Drug Rings Database with web interface: A tool to aid in ring replacement strategies
Xiao Q Lewell Andrew C Jones, Craig L Bruce, Gavin Harper, Matthew M Jones, Iain M Mclay, John Bradshaw | |
8:00 PM | | | | 56 | | Comparing protein-bound ligand structures with in-silico generated conformations
Omoshile O. Clement Swati Puri, F. Gliubich, Shikha Varma, Clive Freeman, Marvin Waldman, Jiabo Li | |
8:00 PM | | | | 57 | | An investigation into analyzing patents by chemical structure
Mark A. Calcagno | |
8:00 PM | | | | 58 | | Application of novel molecular alignment method using Hopfield neural network to 3D-QSAR
Kimito Funatsu Masamoto Arakawa | |
8:00 PM | | | | 59 | | Design of protein-ligand interactions using free energy analysis of conformational ensembles
Pascal Bonnet Richard A. Bryce | |
8:00 PM | | | | 60 | | Performance of a conformational space search method by Grid technology: Development of 3D-structure database for drug discovery platform
Goto Hitoshi Mitsuhisa Sato, Taisuke Boku, Umpei Nagashima, Hiroshi Chuman | |
8:00 PM | | | | 61 | | Investigation of the aromaticity of cyclic conjugated systems by global hardness obtained through novel general ABEEM model on the basis of maximum hardness principle
Yao Cong Zhongzhi Yang, Willy Wriggers | |
8:00 PM | | | | 62 | | Personal Electronic Chemical Reference Archive (PECRA) built on Microsoft Windows® Explorer
Y. Larry Zhang | |
8:00 PM | | | | 63 | | Platform for drug discovery by grid technology: Large-scale molecular calculations and utilization of 3D descriptors
Hiroshi Chuman Umpei Nagashima, Takeshi Nishikawa, Masakatsu Ito, Hitoshi Goto, Naofumi Nakayama, Taisuke Boku, Mitsuhisa Sato, Cheng Feng, Yuichiro Inagak | |
8:00 PM | | | | 64 | | Report generator and analysis tool for Reciprocal Net crystallographers
Leah Sandvoss Dennis Groth | |
8:00 PM | | | | 74 | | A coherent view of disparate data
Paul J. Kowalczyk | |
8:00 PM | | | | 87 | | Structure alerts via Pipeline Pilot
Paul J. Kowalczyk | |
8:00 PM | | | | 94 | | WebReactions for fast reaction searching
James B. Hendrickson Thomas Sander | |
8:00 PM | | | | 104 | | XML for chemical information: Educational needs and examples from a student response analysis system
Daniel C. Tofan Troy A. Wolfskill, David Hanson | |
8:00 PM | | | | 106 | | Virtual screening using active set dependent optimization of dissimilarity metrics
Miklos Vargyas Zsuzsanna Szabo, Gyorgy Pirok, Ferenc Csizmadia | |