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drug-likeness & bioactivity score. Druglikeness may be defined as a complex balance of various molecular properties and structure features which determine whether particular molecule is similar to the known drugs. These properties, mainly hydrophobicity, electronic distribution, hydrogen bonding characteristics, molecule size and flexibility and of Drug Score. The drug score combines druglikeness, cLogP, logS, molecular weight and toxicity risks in one handy value than may be used to judge the compound's overall potential to qualify for a drug. This value is calculated by multiplying contributions of the individual properties with the first equation: ds is the drug score. s.
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Drug-Likeness and molecular property prediction.
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Drug likeness & properties - Part 01.
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ALOHA employs a series of generalized Bayesian models trained from public and proprietary pharmacokinetic, absorption, distribution, metabolism, and excretion, and toxicology data to determine regions of chemical space that are likely to have excellent drug-like Abstract. In order to create novel antidepressants without oxidative tissue damage, less side effects and good bioavailability, structurally simple selective serotonin reuptake inhibitors with a isobenzofuran skeleton were designed based on the SAR of the target molecule- Citalopram and Talopram.
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Share. Save. 36 / 1. Science Aura. Jul 30, 2013 An overall ADME-compliance score – drug-likeness parameter (indicated by # stars), was used to assess the pharmacokinetic profiles of the Oct 30, 2008 Drug-likeness1 is a qualitative concept used in drug design for how druglike a substance is.