Towards a universal digital chemical space for pure component properties prediction
Author:
Funder
Ministry of Science and Technology
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,General Chemical Engineering
Reference44 articles.
1. Challenges and opportunities in computer-aided molecular design;Ng;Comput. Chem. Eng.,2015
2. Marching into molecular design;Lin;Asia‐Pacific J. Chem. Eng.,2011
3. Estimation of pure-component properties from group-contributions;Joback;Chem. Eng. Commun.,1987
4. Group‐contribution estimation of activity coefficients in nonideal liquid mixtures;Fredenslund;AIChE J.,1975
5. Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships;Rogers;J. Chem. Inf. Comput. Sci.,1994
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