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ORCIDAntonio Llinàs
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2020 – today
- 2023
[j7]Jonathan G. M. Conn, James W. Carter, Justin J. A. Conn, Vigneshwari Subramanian
, Andrew Baxter, Ola Engkvist, Antonio Llinàs, Ekaterina Ratkova, Stephen D. Pickett, James L. McDonagh, David S. Palmer:
Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models. J. Chem. Inf. Model. 63(4): 1099-1113 (2023)- 2021
- [j6]Flaviu S. Cipcigan, Paul Smith, Jason Crain, Anders Hogner, Leonardo De Maria, Antonio Llinàs, Ekaterina Ratkova:
Membrane Permeability in Cyclic Peptides is Modulated by Core Conformations. J. Chem. Inf. Model. 61(1): 263-269 (2021) - 2020
- [j5]Vigneshwari Subramanian, Ekaterina Ratkova, David Palmer, Ola Engkvist, Maxim V. Fedorov, Antonio Llinàs:
Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors. J. Chem. Inf. Model. 60(6): 2977-2988 (2020) - [j4]Antonio Llinàs, Ioana Oprisiu, Alex Avdeef:
Findings of the Second Challenge to Predict Aqueous Solubility. J. Chem. Inf. Model. 60(10): 4791-4803 (2020)
2010 – 2019
- 2019
- [j3]Antonio Llinàs, Alex Avdeef:
Solubility Challenge Revisited after Ten Years, with Multilab Shake-Flask Data, Using Tight (SD ∼ 0.17 log) and Loose (SD ∼ 0.62 log) Test Sets. J. Chem. Inf. Model. 59(6): 3036-3040 (2019)
2000 – 2009
- 2009
- [j2]Anton J. Hopfinger, Emilio Xavier Esposito, Antonio Llinàs, Robert C. Glen, Jonathan M. Goodman:
Findings of the Challenge To Predict Aqueous Solubility. J. Chem. Inf. Model. 49(1): 1-5 (2009) - 2008
- [j1]Antonio Llinàs, Robert C. Glen, Jonathan M. Goodman:
Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements? J. Chem. Inf. Model. 48(7): 1289-1303 (2008)
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