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Academic Journal

Quantum-mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?

  • Authors : Tielker N; Physikalische Chemie III, Technische Universität Dortmund, Otto-Hahn-Str. 4a, 44227, Dortmund, Germany.; Eberlein L

Subjects: Drug Discovery* ; Quantum Theory*; Pharmaceutical Preparations/Pharmaceutical Preparations/Pharmaceutical Preparations/*chemistry

  • Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2021 Apr; Vol. 35 (4), pp. 453-472. Date of Electronic Publication: 2020 Oct 20.Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium:

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