Results 201 to 210 of about 1,970,027 (229)
[Hologram quantitative structure-activity relationship on the gas chromatographic retention index of plant essential oil constituents]. [PDF]
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bioRxiv, 2022
In computer-aided drug discovery, quantitative structure activity relation models are trained to predict biological activity from chemical structure. Despite the recent success of applying graph neural network to this task, important chemical information
Yunchao Liu +6 more
semanticscholar +1 more source
In computer-aided drug discovery, quantitative structure activity relation models are trained to predict biological activity from chemical structure. Despite the recent success of applying graph neural network to this task, important chemical information
Yunchao Liu +6 more
semanticscholar +1 more source
Briefings Bioinform., 2020
Effective drug discovery contributes to the treatment of numerous diseases but is limited by high costs and long cycles. The Quantitative Structure-Activity Relationship (QSAR) method was introduced to evaluate the activity of a large number of compounds
Yu-Liang Wang +6 more
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Effective drug discovery contributes to the treatment of numerous diseases but is limited by high costs and long cycles. The Quantitative Structure-Activity Relationship (QSAR) method was introduced to evaluate the activity of a large number of compounds
Yu-Liang Wang +6 more
semanticscholar +1 more source
Journal of Biomolecular Structure and Dynamics, 2020
The present manuscript describes the synthesis, α-amylase inhibition, in silico studies and in-depth quantitative structure–activity relationship (QSAR) of a library of aroyl hydrazones based on benzothiazole skeleton.
Meenakshi Duhan +9 more
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The present manuscript describes the synthesis, α-amylase inhibition, in silico studies and in-depth quantitative structure–activity relationship (QSAR) of a library of aroyl hydrazones based on benzothiazole skeleton.
Meenakshi Duhan +9 more
semanticscholar +1 more source
Recent advances in quantitative structure–activity relationship models of antimalarial drugs
Expert Opinion on Drug Discovery, 2020Introduction Due to emerging resistance to the first-line artemisinin-based antimalarials and lack of efficient vaccines and limited chemotherapeutic alternatives, there is an urgent need to develop new antimalarial compounds.
P. Ojha, Vinay Kumar, J. Roy, K. Roy
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ChemInform, 1999
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
openaire +3 more sources
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
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, 2020
With the pressing issue of antibiotic resistance, there is a constant need for new antibiotics. However, the fact that traditional methods of drug discovery are expensive and time‐consuming has discouraged the pharmaceutical industry, leaving the burden ...
Beatriz Suay-García +5 more
semanticscholar +1 more source
With the pressing issue of antibiotic resistance, there is a constant need for new antibiotics. However, the fact that traditional methods of drug discovery are expensive and time‐consuming has discouraged the pharmaceutical industry, leaving the burden ...
Beatriz Suay-García +5 more
semanticscholar +1 more source