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Podcast: airhacks.fm podcast with adam bien
Episode: Building Software for Chemistry Labs with Java
Description: An airhacks.fm conversation with Stanislav Bashkyrtsev (@sbashkirtsev) about:
scientific software for chemists and drug discovery,
peaksel flagship software for analyzing mass spectrometer data,
parsing binary instrument formats up to gigabytes in size,
mass spectrometry measuring molecular weights using electric fields and detectors,
daltons as mass units,
isotope patterns for molecule identification,
storing experimental data in PostgreSQL with potential big data challenges,
S3 storage solutions,
drug discovery process from hit identification to molecule modifications,
molecular libraries and combinatorial chemistry,
enumeration of molecular structures in computers,
synthesis reactions mixing reactants with solvents and various conditions,
liquid handlers and laboratory automation challenges,
...