Straightforward Recursive Partitioning Model for Discarding Insoluble Compounds in the Drug Discovery Process

Author:

Lamanna Claudia1,Bellini Marta1,Padova Alessandro1,Westerberg Goran1,Maccari Laura1

Affiliation:

1. Siena Biotech S.p.A., Via Fiorentina 1, 53100, Siena, Italy

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Reference31 articles.

1. Solubility: it's not just for physical chemists

2. Maccari, L.; Andreini, M.; Benn, A.; Cesari, L.; Coniglio, S.; Fruscoloni, D.; Paoli, F.; Padova, A.Rational Approach to the Selection of a Diverse Set of Compounds for in Vitro Screening against CNS Therapeutic Targets Utilizing Nucleo, a Cheminformatic and Modelling Platform. Manuscript submitted.

3. Global and Local Computational Models for Aqueous Solubility Prediction of Drug-Like Molecules

4. Accurate Solubility Prediction with Error Bars for Electrolytes:  A Machine Learning Approach

5. Estimation of Aqueous Solubility for a Diverse Set of Organic Compounds Based on Molecular Topology

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