| Monday, 3/14/2005 8:00 PM - 10:00 PM Convention Center Sails Pavilion, Poster | CINF |
Sci-Mix Poster Session | |
| Organized by: Terry Wright | |
8:00 PM | Mutagen/non-mutagen classification of congeneric and diverse sets of chemicals using computed molecular descriptors: A hierarchical approach Denise Mills Subhash C. Basak, Douglas M. Hawkins, Brian D. Gute | ||||||
8:00 PM | Aqueous solubility prediction using 7,000 compounds Paulius J. Jurgutis Andrius Sazonovas, Pranas Japertas | ||||||
8:00 PM | Estimation of estrogen receptor binding affinity using theoretical molecular descriptors Denise Mills Subhash C. Basak, Douglas M. Hawkins | ||||||
8:00 PM | Alchemist Club at Missouri Western State College Janessa M Hovey Jessica M McKinzie, Cindy M Peters, LeeAnn M Schuster, Alexa Cook, Shellney A Oehlert, Michael B Mears | ||||||
8:00 PM | Application of rough set theory to structure-activity relationships Joachim Petit Gerald M Maggiora | ||||||
8:00 PM | Canonicalized systematic nomenclature in chemoinformatics Jeremy J Yang | ||||||
8:00 PM | Data publication @ source via the open archive initiative Simon J. Coles Jeremy G Frey, Michael B. Hursthouse, Leslie A Carr, Christopher J Gutteridge | ||||||
8:00 PM | Designing libraries from HTS data: Hot fragments and activity models Carolyn M. Barker James E Mills | ||||||
8:00 PM | Practical use of scientific and engineering information at United Technologies and Hamilton Sundstrand Suzanne Cristina | ||||||
8:00 PM | MGE: A model generating engine and its applications Sabine Schefzick Mary Bradley | ||||||
8:00 PM | Comparative pharmacophore modeling of organic anion transporting polypeptides: a meta-analysis of rat Oatp1a1, human OATP1A2 and OATP1B1 Cheng Chang Sandy Pang, S Ekins, Peter Swaan | ||||||
8:00 PM | NMR spectral invariants as numerical descriptors for diastereomers and enantiomers Ramanathan Natarajan Subhash C. Basak | ||||||
8:00 PM | Partition of solvents–co-solvents of nanotubes: Proteins and cyclopyranoses Francisco Torrens | ||||||
8:00 PM | Prediction of biologic partition coefficients and binding affinities using QSAR models Denise Mills Moiz M. Mumtaz, Hisham A. El-Masri, Douglas M. Hawkins, Subhash C. Basak | ||||||
8:00 PM | Prediction of blood: Brain penetration of chemicals using computed molecular descriptors Christian T Matson Subhash C. Basak, Lester R. Drewes | ||||||
8:00 PM | How to find the best computational chemistry method using cheminformatics Tulay Ercanli Donald B. Boyd | ||||||
8:00 PM | Scaffold hopping and virtual screening using similarity search and bioisosteric replacement Guyan Liang Isabelle Morize | ||||||
8:00 PM | QSTR models of juvenile hormone mimetic compounds for Culex pipiens larvae Jessica J. Kraker Douglas M. Hawkins, Denise Mills, Ramanathan Natarajan, Subhash C. Basak | ||||||
8:00 PM | SeQuence IDentification: A peptide sequencing algorithm based on gas-phase peptide fragmentation patterns in tandem mass spectrometry Li Ji Joseph Triscari, Yingying Huang, George Tseng, Shinsheng Yuan, Ljiljana Pasa-Tolic, Mary S Lipton, Richard D. Smith, Vicki H Wysocki | ||||||
8:00 PM | Hierarchical quantitative structure-toxicity relationship (Hi-QSTR) modeling of aquatic toxicity and mutagenicity Denise Mills Subhash C. Basak, Brian D. Gute |