Results 91 to 100 of about 1,944,029 (193)
Drug likeness score of 0.9 for GA and 1.17 for CQ lie under the drugs range.
, 2013 Drug likeness score of 0.9 for GA and 1.17 for CQ lie under the drugs range.
Feroz Khan (462714) +5 more
core +1 more source
Predicting the Crystallization Propensity of Drug-Like Molecules [PDF]
Journal of Pharmaceutical Sciences, 2017 Predicting the crystallization propensity of drug-like molecules is one of the most significant challenges facing pharmaceutical scientists today. Despite the importance of being able to understand what structural features of a molecule (polarity, molecular size, etc.) and which experimental conditions (temperature, concentration, etc.) permit a ...
openaire +2 more sources
The processes of reform in Victoria’s alcohol and other drug sector, 2011-2014 [PDF]
, 2014 This paper explores issues and concerns related to the 2014 alcohol and other drug sector recommissioning process in Victoria. Overview In mid-2014, the Victorian Alcohol and Drug Association approached the Drug Policy Modelling Program, at the ...
Drug Policy Modelling Program
core
, 2012 Most drug discovery programs today originate by selection of 'hit' molecules resulting from assays against large compound screening libraries. The chemical space in which these hits reside has implications for its biological activity in vivo and ...
Zuegg, Johannes, Cooper, Matthew A.
core +1 more source
Token-Mol 1.0: tokenized drug design with large language models
Nature CommunicationsThe integration of large language models (LLMs) into drug design is gaining momentum; however, existing approaches often struggle to effectively incorporate three-dimensional molecular structures.
Jike Wang +18 more
doaj +1 more source
Definition of Drug-Likeness for Compound Affinity
, 2016 We proposed a new definition of drug-likeness based on protein–compound docking simulation. Active and decoy compounds of 40 target proteins were investigated. These compounds were docked to protein sets consisting of 53–160 proteins.
Haruki Nakamura (9157) +1 more
core +1 more source
Predicted drug-likeness of the compounds identified from raw and roasted Terminalia catappa nuts.
Predicted drug-likeness of the compounds identified from raw and roasted Terminalia catappa nuts.
Florence Nkechi Nworah (16856481) +10 more
core +1 more source
Molecular physicochemical descriptors and drug-likeness analysis of the selected compounds.
Molecular physicochemical descriptors and drug-likeness analysis of the selected compounds.
Md. Rabiul Islam (9108985) +8 more
core +1 more source
IN SILICO DRUG-LIKENESS OF STEROIDAL HETEROCYCLIC DERIVATIVES
ProceedingsSteroidal bis-thiosemicarbazones and their cyclic derivatives, thiadiazolines (TDZs) and triazoline-3-thiones (TATs), were evaluated in silico (Molinspiration, pkCSM) to assess drug-likeness and pharmacokinetic properties. With the exception of cholestane-based derivatives, most compounds complied with Lipinski’s criteria or showed only a single ...
Marijana Živković +2 more
openaire +2 more sources
ADMET profiling enlisting absorption, distribution, metabolism and toxicity related drug-likeness parameters.
Md. Rabiul Islam (9108985) +8 more
core +1 more source