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In Silico Prediction of Buffer Solubility Based on Quantum-Mechanical and HQSAR- and Topology-Based Descriptors
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Outgoing claims: the papers this work cites, builds on, or argues with.
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The natural atomic orbital point charge model for PM3: Multipole moments and molecular electrostatic potentials
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Prediction of C60 Solubilities from Solvent Molecular Structures
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Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure
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A Temperature-Dependent Quantum Mechanical/Neural Net Model for Vapor Pressure
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Prediction of Aqueous Solubility and Partition Coefficient Optimized by a Genetic Algorithm Based Descriptor Selection Method
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Support Vector Machines for the Estimation of Aqueous Solubility
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Prediction of Aqueous Solubility for a Diverse Set of Heteroatom-Containing Organic Compounds Using a Quantitative Structure−Property Relationship
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QM/NN QSPR Models with Error Estimation: Vapor Pressure and LogP
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Comparative assessment of physics-based in silico methods to calculate relative solubilities
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