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COMPASS II: extended coverage for polymer and drug-like molecule databases

Huai SunSchool of Chemistry and Chemical Engineering and Key Laboratory of Scientific and Engineering Computing of Ministry of Education, Shanghai Jiao Tong University, Shanghai, 200240, China. [email protected]Zhao JinSchool of Chemistry and Chemical Engineering and Key Laboratory of Scientific and Engineering Computing of Ministry of Education, Shanghai Jiao Tong University, Shanghai, 200240, ChinaChunwei YangSchool of Chemistry and Chemical Engineering and Key Laboratory of Scientific and Engineering Computing of Ministry of Education, Shanghai Jiao Tong University, Shanghai, 200240, ChinaReinier AkkermansDassault Systèmes BIOVIA, 334 Cambridge Science Park, Cambridge, CB4 0WN, UKStruan H. RobertsonDassault Systèmes BIOVIA, 334 Cambridge Science Park, Cambridge, CB4 0WN, UKNeil A. SpenleyDassault Systèmes BIOVIA, 334 Cambridge Science Park, Cambridge, CB4 0WN, UKSimon MillerDassault Systèmes BIOVIA, 334 Cambridge Science Park, Cambridge, CB4 0WN, UKStephen M. ToddDassault Systèmes BIOVIA, 334 Cambridge Science Park, Cambridge, CB4 0WN, UK
2016en
ABI

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