Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 541 - 560 of 584 publications
Side effect profile prediction: Computational tackling of big pharma's worst nightmare at an early stage
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
COMP 495-Tautomers, conformers, and computation of chemical similarity
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Understanding false positives in reporter gene assays: In silico chemogenomics approaches to prioritize cell-based HTS data
Journal of chemical information and modeling
(2007)
47
1319
(doi: 10.1021/ci6005504)
Modeling Promiscuity Based on in vitro Safety Pharmacology Profiling Data
Chemmedchem
(2007)
2
874
(doi: 10.1002/cmdc.200700036)
Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off‐Target Effects from Chemical Structure
Chemmedchem
(2007)
2
861
(doi: 10.1002/cmdc.200700026)
"Plate cherry picking": a novel semi-sequential screening paradigm for cheaper, faster, information-rich compound selection.
J Biomol Screen
(2007)
12
320
(doi: 10.1177/1087057107299427)
Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds
Journal of Computer Aided Molecular Design
(2007)
21
269
(doi: 10.1007/s10822-007-9113-3)
Flexible 3D pharmacophores as descriptors of dynamic biological space
Journal of molecular graphics & modelling
(2007)
26
622
(doi: 10.1016/j.jmgm.2007.02.005)
Synthesis of CaO-P<sub>2</sub>O<sub>5</sub>-SiO<sub>2</sub> Monolithic with Double Pore Structure by Peg /Starch
Key Engineering Materials
(2007)
330-332 II
979
(doi: 10.4028/0-87849-422-7.979)
Double-pore structure and enzyme activity of SiO2 monolithic carrier
Chinese Journal of Inorganic Chemistry
(2007)
23
164
Evolved Cellular Automata for Protein Secondary Structure Prediction Imitate the Determinants for Folding Observed in Nature
In Silico Biology: Journal of Biological Systems Modeling and Multi-Scale Simulation
(2007)
7
87
(doi: 10.3233/isb-00277)
In silico target fishing: Predicting biological targets from chemical structure
Drug Discovery Today Technologies
(2006)
3
413
(doi: 10.1016/j.ddtec.2006.12.008)
Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR.
Annu Rep Comput Chem
(2006)
2
141
Bridging Chemical and Biological Space: “Target Fishing” Using 2D and 3D Molecular Descriptors
J Med Chem
(2006)
49
6802
(doi: 10.1021/jm060902w)
Melting point prediction employing k-nearest neighbor algorithms and genetic parameter optimization
Journal of chemical information and modeling
(2006)
46
2412
(doi: 10.1021/ci060149f)
Chemoinformatics-based classification of prohibited substances employed for doping in sport.
Journal of chemical information and modeling
(2006)
46
2369
(doi: 10.1021/ci0601160)
Bridging chemical and biological space: "Target Fishing" using 2D and 3D molecular descriptors
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
232
293
"Bayes affinity fingerprints" Improve retrieval rates in virtual screening and define orthogonal bioactivity space: When are multitarget drugs a feasible concept?
J Chem Inf Model
(2006)
46
2445
(doi: 10.1021/ci600197y)
Synthesis and enzyme activity of SiO2 monolithic carrier with double-pore structure by addition of starch/PEG
Wuji Cailiao Xuebao Journal of Inorganic Materials
(2006)
21
1154
Skeletal diversity construction via a branching synthetic strategy
Chemical Communications
(2006)
3296
(doi: 10.1039/b607710b)
