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Journal Abstract Search

241 related items for PubMed ID: 31939104

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  • 2. Quantum chemical predictions of water-octanol partition coefficients applied to the SAMPL6 logP blind challenge.
    Jones MR, Brooks BR.
    J Comput Aided Mol Des; 2020 May; 34(5):485-493. PubMed ID: 32002778
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  • 3. SAMPL7 blind challenge: quantum-mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules.
    Fındık BK, Haslak ZP, Arslan E, Aviyente V.
    J Comput Aided Mol Des; 2021 Jul; 35(7):841-851. PubMed ID: 34164769
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  • 4. Predicting octanol/water partition coefficients for the SAMPL6 challenge using the SM12, SM8, and SMD solvation models.
    Ouimet JA, Paluch AS.
    J Comput Aided Mol Des; 2020 May; 34(5):575-588. PubMed ID: 32002781
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  • 9. Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge.
    Işık M, Bergazin TD, Fox T, Rizzi A, Chodera JD, Mobley DL.
    J Comput Aided Mol Des; 2020 Apr; 34(4):335-370. PubMed ID: 32107702
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  • 17. COSMO-RS predictions of logP in the SAMPL7 blind challenge.
    Warnau J, Wichmann K, Reinisch J.
    J Comput Aided Mol Des; 2021 Jul; 35(7):813-818. PubMed ID: 34125358
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  • 19. Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields.
    Ding Y, Xu Y, Qian C, Chen J, Zhu J, Huang H, Shi Y, Huang J.
    J Comput Aided Mol Des; 2020 Apr; 34(4):421-435. PubMed ID: 31960252
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