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- Currently displaying 281 - 300 of 559 publications
Anti-mesothelioma mechanism of action studies of a complex Cynara scolymus fraction using in silico target prediction and gene expression profiling
– Planta Medica
(2016)
81,
S1
(doi: 10.1055/s-0036-1596242)
Identification of critical paralog groups with indispensable roles in the regulation of signaling flow.
– Scientific Reports
(2016)
6,
38588
(doi: 10.1038/srep38588)
A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood
– Journal of Cheminformatics
(2016)
8,
69
(doi: 10.1186/s13321-016-0182-y)
Current trends in drug sensitivity prediction
– Current pharmaceutical design
(2016)
22,
6918
Diversity selection, screening and quantitative structure-activity relationships of osmolyte-like additive effects on the thermal stability of a monoclonal antibody
– European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
(2016)
97,
151
(doi: 10.1016/j.ejps.2016.11.016)
Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening
– Brief Bioinform
(2016)
19,
277
(doi: 10.1093/bib/bbw105)
The Impact of Environmental and Endogenous Damage on Somatic Mutation Load in Human Skin Fibroblasts
– PLoS Genetics
(2016)
12,
e1006385
(doi: 10.1371/journal.pgen.1006385)
Predicting Genes Involved in Human Cancer Using Network Contextual Information
– Journal of Integrative Bioinformatics
(2016)
9,
44
(doi: 10.1515/jib-2012-210)
Simultaneous Prediction of four ATP-binding Cassette Transporters' Substrates Using Multi-label QSAR.
– Molecular informatics
(2016)
35,
514
(doi: 10.1002/minf.201600036)
Analysis of Differential Efficacy and Affinity of GABAA (α1/α2) Selective Modulators
– Molecular pharmaceutics
(2016)
13,
4001
A molecular portrait of microsatellite instability across multiple cancers
(2016)
079152
(doi: 10.1101/079152)
Data-Driven Derivation of an “Informer Compound Set” for Improved Selection of Active Compounds in High-Throughput Screening
– Journal of chemical information and modeling
(2016)
56,
1622
(doi: 10.1021/acs.jcim.6b00244)
eNanoMapper - A database and ontology framework for design and safety assessment of nanomaterials
– TOXICOLOGY LETTERS
(2016)
258,
S118
Understanding Cytotoxicity and Cytostaticity in a High-Throughput Screening Collection.
– ACS chemical biology
(2016)
11,
3007
(doi: 10.1021/acschembio.6b00538)
eNanoMapper – A database and ontology framework for design and safety assessment of nanomaterials
– Toxicology Letters
(2016)
258,
S118
Understanding the mode-of-action of Cassia auriculata via in silico and in vivo studies towards validating it as a long term therapy for type II diabetes
– Journal of Ethnopharmacology
(2016)
197,
61
(doi: 10.1016/j.jep.2016.07.058)
Benchmarking the Predictive Power of Ligand Efficiency Indices in QSAR.
– Journal of chemical information and modeling
(2016)
56,
1576
(doi: 10.1021/acs.jcim.6b00136)
Decision Trees for Continuous Data and Conditional Mutual Information as a Criterion for Splitting Instances.
– Combinatorial Chemistry & High Throughput Screening
(2016)
19,
423
Synthesis and in vitro evaluation of hydrazinyl phthalazines against malaria parasite, Plasmodium falciparum.
– Bioorganic & Medicinal Chemistry Letters
(2016)
26,
3300
(doi: 10.1016/j.bmcl.2016.05.049)
11th German Conference on Chemoinformatics (GCC 2015): Fulda, Germany. 8–10 November 2015.
– J Cheminform
(2016)
8,
18
(doi: 10.1186/s13321-016-0119-5)