Concepedia
Journal of Molecular Liquids · 2024 · 30 citations · 38 references
PharmacyChemistryMedicinal ChemistryDrug DiscoveryOrganic ChemistryStructure-activity RelationshipsDiversity-oriented SynthesisHeterocycle SynthesisHeterocyclic ChemistryLead Compound DesignLigand-based DesignMulti-target Drug DesignTriazole ChemistryTriazole Synthesis
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SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Antoine Daina, Olivier Michielin, Vincent Zoete · Scientific Reports · 2017 · 17.1K citations · Full text
Pharmacy, Medicinal Chemistry, Pharmacokinetics +16
Lead- and drug-like compounds: the rule-of-five revolution
Christopher A. Lipinski · Drug Discovery Today Technologies · 2004 · 6.1K citations
Pharmacy, Chemistry, Medicinal Chemistry +14
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
Douglas E. V. Pires, Tom L. Blundell, David B. Ascher · Journal of Medicinal Chemistry · 2015 · 5.4K citations · Full text
Pharmacy, Pharmacokinetics, Pharmacology +17
A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules
Antoine Daina, Vincent Zoete · ChemMedChem · 2016 · 2.4K citations · Full text
Structures of Human Acetylcholinesterase in Complex with Pharmacologically Important Ligands
Jonah Cheung, M. Rudolph, F. Burshteyn et al. · Journal of Medicinal Chemistry · 2012 · 1.3K citations
Life Sciences, Biochemistry, Pharmacology +13