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- Currently displaying 321 - 340 of 560 publications
Bioalerts: A python library for the derivation of structural alerts from bioactivity and toxicity data sets
Journal of Cheminformatics
(2016)
8
13
(doi: 10.1186/s13321-016-0125-7)
Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data†
Toxicol Res (Camb)
(2016)
5
883
(doi: 10.1039/c5tx00406c)
Analysis of Iterative Screening with Stepwise Compound Selection Based on Novartis In-house HTS Data.
ACS chemical biology
(2016)
11
1255
(doi: 10.1021/acschembio.6b00029)
Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships between Therapeutic Action (Sub)classes.
Evidence-based complementary and alternative medicine : eCAM
(2016)
2016
2106465
(doi: 10.1155/2016/2106465)
Systematic selection of small molecules to promote differentiation of embryonic stem cells and experimental validation for generating cardiomyocytes.
Cell Death Discov
(2016)
2
16007
(doi: 10.1038/cddiscovery.2016.7)
Understanding cytotoxicity in high-throughput screening collections using an in silico polypharmacological prediction protocol
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)
252
Answering scientific questions with linked European nanosafety data
Ceur Workshop Proceedings
(2016)
1795
Nano-cuprous oxide catalyzed one-pot synthesis of a carbazole-based STAT3 inhibitor: a facile approach via intramolecular C-N bond formation reactions
RSC Advances
(2016)
6
36775
(doi: 10.1039/c6ra01906d)
Current Trends in Drug Sensitivity Prediction
CURRENT PHARMACEUTICAL DESIGN
(2016)
22
6918
Nano-MoO 3 -mediated synthesis of bioactive thiazolidin-4-ones acting as anti-bacterial agents and their mode-of-action analysis using in silico target prediction, docking and similarity searching
New Journal of Chemistry
(2016)
40
2189
(doi: 10.1039/c5nj02729b)
Improved Chemical Structure-Activity Modeling Through Data Augmentation.
Journal of Chemical Information and Modeling
(2015)
55
2682
(doi: 10.1021/acs.jcim.5b00570)
ARWAR: A network approach for predicting Adverse Drug Reactions
Comput Biol Med
(2015)
68
101
How Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements.
ChemMedChem
(2015)
11
57
(doi: 10.1002/cmdc.201500424)
Target prediction utilising negative bioactivity data covering large chemical space.
Journal of cheminformatics
(2015)
7
51
(doi: 10.1186/s13321-015-0098-y)
Corrigendum to “Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors” [Eur. J. Med. Chem. 101 (2015) 573–583]
European Journal of Medicinal Chemistry
(2015)
103
223
(doi: 10.1016/j.ejmech.2015.08.050)
A Nano-MgO and Ionic Liquid-Catalyzed 'Green' Synthesis Protocol for the Development of Adamantyl-Imidazolo-Thiadiazoles as Anti-Tuberculosis Agents Targeting Sterol 14α-Demethylase (CYP51)
Plos One
(2015)
10
e0139798
(doi: 10.1371/journal.pone.0139798)
Quantitative study of the generational changes among relationship habits in highly educated Hungarian population
New Medicine
(2015)
19
100
(doi: 10.5604/14270994.1179855)
Development of Novel Triazolo-Thiadiazoles from Heterogeneous "Green" Catalysis as Protein Tyrosine Phosphatase 1B Inhibitors
Scientific Reports
(2015)
5
14195
(doi: 10.1038/srep14195)
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel
Bioinformatics
(2015)
32
85
Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectives
Drug discovery today
(2015)
21
225
(doi: 10.1016/j.drudis.2015.09.003)
