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Under the Oil Pollution Act, companies are obligated to report hazardous spills to the NRC, which maintains a database of chemical pollution.
All a pharmaceutical company needs to do is to link Leadscope's software to its own database of chemical structures and their biological activity.
But does it have to be? Could a sufficiently large and well-curated database of chemical transformations be used as the basis for a program that not only finds reactions, but also arranges them into plausible synthetic plans?
A large database of chemical structures was screened for potential inhibitors of β-secretase was carried out using in silico multi-filter techniques.
PubChem: a database of chemical molecules [19].
➢ PubChemd, which is a database of chemical molecules.
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Like the contents of the process simulator, the product simulator needs a database of chemicals and properties, a library of models, numerical routines to solve mathematical problems as well as various calculation options.
Mr. Lindsay said New Braunfels residents had expressed more concerns since the West explosion, and he is trying to develop a database of chemicals in facilities across the county so first responders know what to do in case of an emergency.
Similar to eSynth, FOG employs a construction algorithm using molecular fragments to generate synthetically tractable molecules, however, it grows molecules using a Markov Chain according to statistics on the frequency of specific connections in the database of chemicals.
No respondent referred to the SIN ('Substitute It Now!') list [42], which is a globally used database of chemicals set up by the environmental organization ChemSec which compiles 912 (update February 2017) substances of concern based on the REACH criteria for SVHC substances.
A computer jockey named Michael Richards punches a keyboard to search a database of chemicals kept at a biotechnology company here.
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