Results 161 to 170 of about 21,290 (203)
AI/ML methodologies and the future-will they be successful in designing the next generation of new chemical entities? [PDF]
J CheminformBienstock RJ.
europepmc +1 more source
Rapid Generation of Transition-State Conformer Ensembles via Constrained Distance Geometry. [PDF]
J Chem Inf ModelSchmid SP, Seng H, Kläy T, Jorner K.
europepmc +1 more source
Fifteen years of ChEMBL and its role in cheminformatics and drug discovery. [PDF]
J CheminformZdrazil B.
europepmc +1 more source
Some of the next articles are maybe not open access.
Related searches:
Related searches:
DNA and Cell Biology, 2004
A cheminformatics method is described for classification, and biophysical examination, of individual molecules. A novel molecular detector is used--one based on current blockade measurements through a nanometer-scale ion channel (alpha-hemolysin). Classification results are described for blockades caused by DNA molecules in the alpha-hemolysin nanopore
Stephen, Winters-Hilt, Mark, Akeson
openaire +2 more sources
A cheminformatics method is described for classification, and biophysical examination, of individual molecules. A novel molecular detector is used--one based on current blockade measurements through a nanometer-scale ion channel (alpha-hemolysin). Classification results are described for blockades caused by DNA molecules in the alpha-hemolysin nanopore
Stephen, Winters-Hilt, Mark, Akeson
openaire +2 more sources
Communications of the ACM, 2012
Open-source chemistry software and molecular databases broaden the research horizons of drug discovery.
Wegner, J. K. +9 more
openaire +2 more sources
Open-source chemistry software and molecular databases broaden the research horizons of drug discovery.
Wegner, J. K. +9 more
openaire +2 more sources
Introduction to Cheminformatics
Current Protocols in Bioinformatics, 2007AbstractCheminformatics is a field of information technology that focuses on the collection, storage, analysis, and manipulation of chemical data. The chemical data of interest typically includes information on small molecule formulas, structures, properties, spectra, and activities (biological or industrial).
openaire +5 more sources
Of possible cheminformatics futures
Journal of Computer-Aided Molecular Design, 2011For over a decade, cheminformatics has contributed to a wide array of scientific tasks from analytical chemistry and biochemistry to pharmacology and drug discovery; and although its contributions to decision making are recognized, the challenge is how it would contribute to faster development of novel, better products.
Oprea +3 more
openaire +2 more sources