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Computer-aided molecular design - part 1
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Screencast showing how to use group-contribution methods for computer-aided molecular design – introduction to approach and highlighted pitfalls. Group-contribution method from:
Joback, K. G., & Reid, R. C. (1987). Estimation of pure-component properties from group-contributions. Chemical Engineering Communications, 57(1-6), 233-243.
Joback, K. G., & Reid, R. C. (1987). Estimation of pure-component properties from group-contributions. Chemical Engineering Communications, 57(1-6), 233-243.
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Computer-aided molecular design - part 1
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Computer-aided molecular design - part 2
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Computer-aided molecular design - part 3
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