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Drug- and Lead-likeness, Target Class, and Molecular Diversity Analysis of 7.9 Million Commercially Available Organic Compounds Provided by 29 Suppliers
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527609321.ch2openalex-snapshot
High‐throughput Screening for Targeted Lead Discovery
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Parameter Based Methods for Compound Selection from Chemical Databases
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Leadlikeness and structural diversity of synthetic screening libraries
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Pursuing the leadlikeness concept in pharmaceutical research
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Assessment of chemical libraries for their druggability
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases
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Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution Approach
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SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
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Prediction of Aqueous Solubility of Organic Compounds by the General Solubility Equation (GSE)
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Property Distributions: Differences between Drugs, Natural Products, and Molecules from Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/ci034006uopenalex-snapshot
Prediction of Aqueous Solubility and Partition Coefficient Optimized by a Genetic Algorithm Based Descriptor Selection Method
inferredcites →https://doi.org/10.1021/ci034260mopenalex-snapshot
Drug-like Annotation and Duplicate Analysis of a 23-Supplier Chemical Database Totalling 2.7 Million Compounds
inferredcites →https://doi.org/10.1021/ci980335oopenalex-snapshot
Chemical Similarity Assessment through Multilevel Neighborhoods of Atoms: Definition and Comparison with the Other Descriptors
inferredcites →https://doi.org/10.1021/ci9901338openalex-snapshot
Estimation of Aqueous Solubility for a Diverse Set of Organic Compounds Based on Molecular Topology
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Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
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Property distribution of drug-related chemical databases*
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Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure
inferredcites →https://doi.org/10.2174/0929867033368510openalex-snapshot
Prediction of Biological Activity Spectra for Substances: Evaluation on the Diverse Sets of Drug-Like Structures
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