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- Currently displaying 301 - 320 of 557 publications
Trisubstituted-Imidazoles Induce Apoptosis in Human Breast Cancer Cells by Targeting the Oncogenic PI3K/Akt/mTOR Signaling Pathway
– PLoS One
(2016)
11,
e0153155
(doi: 10.1371/journal.pone.0153155)
SignaFish: A Zebrafish-specific signaling pathway resource
– Zebrafish
(2016)
13,
541
(doi: 10.1089/zeb.2016.1277)
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
– Toxicology Research
(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
(2016)
2016,
1
(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 Discovery
(2016)
2,
16007
(doi: 10.1038/cddiscovery.2016.7)
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)
Current Trends in Drug Sensitivity Prediction
– CURRENT PHARMACEUTICAL DESIGN
(2016)
22,
6918
Modeling Polypharmacological Profiles by Affinity Fingerprinting
– Curr Pharm Des
(2016)
22,
6885
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)
CompArAtiVe stUdy oF hyGiene hABits in three diFFerent GroUps in hUnGAry
– New Medicine
(2016)
20,
140
(doi: 10.5604/14270994.1228169)
Understanding cytotoxicity in high-throughput screening collections using an in silico polypharmacological prediction protocol
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)
252,
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
– Computers in Biology and Medicine
(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)
Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors (vol 101, pg 573, 2015)
– 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)