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- Currently displaying 221 - 240 of 559 publications
A systematic and prospectively validated approach for identifying synergistic drug combinations against malaria
– Malaria journal
(2018)
17,
160
(doi: 10.1186/s12936-018-2294-5)
Comprehensive Characterization of Cancer Driver Genes and Mutations
– Cell
(2018)
173,
371
(doi: 10.1016/j.cell.2018.02.060)
Perspective on Oncogenic Processes at the End of the Beginning of Cancer Genomics
– Cell
(2018)
173,
305
(doi: 10.1016/j.cell.2018.03.033)
Special Issue: Cheminformatics in Drug Discovery
– ChemMedChem
(2018)
13,
467
(doi: 10.1002/cmdc.201800123)
eMolTox: prediction of molecular toxicity with confidence.
– Bioinformatics
(2018)
34,
2508
In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts.
– Front Chem
(2018)
6,
30
(doi: 10.3389/fchem.2018.00030)
Common structural and pharmacophoric features of mPGES-1 and LTC4S.
– Future medicinal chemistry
(2018)
10,
259
(doi: 10.4155/fmc-2017-0123)
Gearing transcriptomics towards high-throughput screening: Compound shortlisting from gene expression using in silico information
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Determining associations between transcriptomics and toxicity using co-expression network methods
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Understanding drug and compound combinations and modelling synergy - Methods and applications
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
MD-assisted approach for designing multi-target ligands at A2AR and PDE10A that elevate cyclic AMP
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Understanding the effect of arsenic treatment on breast cancer cell lines using gene expression analysis
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Computational selectivity modelling for bromodomains: Insights into selectivity and discovery of new small-molecule hits
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Information-derived adverse outcome pathways with a case study on structural cardiotoxicity
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Developments in toxicogenomics: Understanding and predicting compound-induced toxicity from gene expression data
– RSC Molecular Omics
(2018)
14,
218
(doi: 10.1039/c8mo00042e)
Analysing matched molecular pair transformations in drug discovery projects as a function of time and molecular environment
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
In silico estimation of chemical aquatic toxicity on crustaceans using chemical category methods
– Environmental Science Processes & Impacts
(2018)
20,
1234
(doi: 10.1039/c8em00220g)
Artificial intelligence for predicting molecular electrostatic potentials (ESPs): A step towards developing ESP-guided knowledge-based scoring functions
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Binding mode ensembles determine ligand efficacy at a GPCR
– NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY
(2018)
391,
S6
Computer-aided design of multi-target ligands at A
– J Cheminform
(2017)
9,
67
(doi: 10.1186/s13321-017-0249-4)