Results 301 to 310 of about 2,040,439 (323)
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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
semanticscholar +1 more source
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
semanticscholar +1 more source
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
TrAC Trends in Analytical Chemistry, 1999
Abstract Molecular descriptors represent important tools for predicting properties of chemicals, for classifying chemical structures, and for seeking similarities among them. A class of molecular descriptors is described which views a molecule as a whole, and leads to codes of uniform length, irrespective of the size of the molecule.
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Abstract Molecular descriptors represent important tools for predicting properties of chemicals, for classifying chemical structures, and for seeking similarities among them. A class of molecular descriptors is described which views a molecule as a whole, and leads to codes of uniform length, irrespective of the size of the molecule.
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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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, 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
4D- quantitative structure–activity relationship modeling: making a comeback
Expert Opinion on Drug Discovery, 2019Introduction: Predictive Quantitative Structure–Activity Relationship (QSAR) modeling has become an essential methodology for rapidly assessing various properties of chemicals.
D. Fourches, Jeremy R. Ash
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Analytical Methods, 2019
Prediction of the carcinogenicity of PAHs in atmospheric particulate matter using the quantitative structure–activity relationship (QSAR) combined with the random forest (RF) method.
Nan Li +5 more
semanticscholar +1 more source
Prediction of the carcinogenicity of PAHs in atmospheric particulate matter using the quantitative structure–activity relationship (QSAR) combined with the random forest (RF) method.
Nan Li +5 more
semanticscholar +1 more source
Journal of Agricultural and Food Chemistry, 2019
With environmental pollution, residual hazards accumulate and severe drug resistance and many other problems appear; some highly toxic drugs have been banned, and antifungal agents are far from satisfactory. Natural products play an important role in the
Yu-Bin Bai +5 more
semanticscholar +1 more source
With environmental pollution, residual hazards accumulate and severe drug resistance and many other problems appear; some highly toxic drugs have been banned, and antifungal agents are far from satisfactory. Natural products play an important role in the
Yu-Bin Bai +5 more
semanticscholar +1 more source