Volume 10, Issue 3

Search all Molecular Diversity articles

August 2006

Bioactivity Prediction and Biochemotype Annotation

Issue Editor:

Jun Xu

20 articles in this issue

Special issue on bioactivity prediction and biochemotype annotation
Jun Xu
Guest Editorial 27 September 2006 Pages: 271 - 271
Interrogating the druggable genome with structural informatics
Kevin Hambly
Joseph Danzer
Derek A. Debe
Full–length paper 22 September 2006 Pages: 273 - 281
Cheminformatics analysis and learning in a data pipelining environment
Moises Hassan
Robert D. Brown
David Rogers
Full–length paper 22 September 2006 Pages: 283 - 299
SVM approach for predicting LogP
Quan Liao
Jianhua Yao
Shengang Yuan
Full–length paper 22 September 2006 Pages: 301 - 309
Reverse fingerprinting, similarity searching by group fusion and fingerprint bit importance
Chris Williams
Full–length paper 21 September 2006 Pages: 311 - 332
JEDA: Joint entropy diversity analysis. An information-theoretic method for choosing diverse and representative subsets from combinatorial libraries
Melissa R. Landon
Scott E. Schaus
Full–length Paper 21 September 2006 Pages: 333 - 339
Scoring of KDR Kinase Inhibitors: Using Interaction Energy as a Guide for Ranking
Georgia B. McGaughey
J. Chris Culberson
Joseph Shpungin
Full–length Paper 27 September 2006 Pages: 341 - 347
Differences in hepatotoxicity and gene expression profiles by anti-diabetic PPAR γ agonists on rat primary hepatocytes and human HepG2 cells
Lei Guo
Lu Zhang
Yvonne P Dragan
Full-length paper 21 September 2006 Pages: 349 - 360
Application of linear discriminant analysis in the virtual screening of antichagasic drugs through trypanothione reductase inhibition
Julián J. Prieto
Alan Talevi
Luis E. Bruno-Blanch
Full-Length Paper 21 September 2006 Pages: 361 - 375
Leadlikeness and structural diversity of synthetic screening libraries
Herman J. Verheij
Full–length Paper 21 September 2006 Pages: 377 - 388
Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers
Aurélien Monge
Alban Arrault
Luc Morin-Allory
Full–length paper 21 September 2006 Pages: 389 - 403
A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis
Antreas Afantitis
Georgia Melagraki
Olga Igglessi-Markopoulou
Full-Length Paper 01 August 2006 Pages: 405 - 414
On an aspect of calculated molecular descriptors in QSAR studies of quinolone antibacterials
Payel Ghosh
Megha Thanadath
Manish C. Bagchi
Full-length paper 02 August 2006 Pages: 415 - 427
Use of 4-bromo pyridazine 3,6-dione for building 3-amino pyridazine libraries
Martine Schmitt
João X de Araújo-Júnior
Jean-Jacques Bourguignon
OriginalPaper 29 July 2006 Pages: 429 - 434
Advances in Microwave-Assisted Combinatorial Chemistry Without Polymer-Supported Reagents
Rafael Martínez-Palou
Review 01 August 2006 Pages: 435 - 462
V-cluster algorithm: A new algorithm for clustering molecules based upon numeric data
Jun Xu
Qiang Zhang
Chen-Kon Shih
Full-length paper 01 August 2006 Pages: 463 - 478
Synthesis of functionalized 5-imino-2,5-dihydro-furans through the reaction of isocyanides with activated acetylenes in the presence of ethyl bromopyruvate
Issa Yavari
Zinatossadat Hossaini
Maryam Sabbaghan
Short Communication 12 September 2006 Pages: 479 - 482
An easy access to 2-Amino-5,6-dihydro-3H-pyrimidin-4-one building blocks: The reaction under conventional and microwave conditions
Konstantin S. Ostras
Nikolay Yu. Gorobets
Vladimir I. Musatov
Full-Length Paper 12 September 2006 Pages: 483 - 489
Microwave assisted oxidation of some aromatics by hydrogen peroxide at supported tungsten catalyst
Marcin Lukasiewicz
Dariusz Bogdal
Jan Pielichowski
Short Communication 21 September 2006 Pages: 491 - 493
Toward automated biochemotype annotation for large compound libraries
Xian Chen
Yizeng Liang
Jun Xu
Full-length paper 12 September 2006 Pages: 495 - 509

Volume 10, Issue 3

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