Antonio Llinàs

According to our database, Antonio Llinàs authored at least 7 papers between 2008 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

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.

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

J. Chem. Inf. Model., February, 2023

2021

Membrane Permeability in Cyclic Peptides is Modulated by Core Conformations.

Flaviu S. Cipcigan, Paul Smith, Jason Crain, Anders Hogner, Leonardo De Maria, Antonio Llinàs, Ekaterina Ratkova

J. Chem. Inf. Model., 2021

2020

Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors.

Vigneshwari Subramanian, Ekaterina Ratkova, David Palmer, Ola Engkvist, Maxim V. Fedorov, Antonio Llinàs

J. Chem. Inf. Model., 2020

Findings of the Second Challenge to Predict Aqueous Solubility.

Antonio Llinàs, Ioana Oprisiu, Alex Avdeef

J. Chem. Inf. Model., 2020

2019

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.

Antonio Llinàs, Alex Avdeef

J. Chem. Inf. Model., 2019

2009

Findings of the Challenge To Predict Aqueous Solubility.

Anton J. Hopfinger, Emilio Xavier Esposito, Antonio Llinàs, Robert C. Glen, Jonathan M. Goodman

J. Chem. Inf. Model., 2009

2008

Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements?

Antonio Llinàs, Robert C. Glen, Jonathan M. Goodman

J. Chem. Inf. Model., 2008