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qsar software acd/percepta  (ACD Labs Inc)

 
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    ACD Labs Inc qsar software acd/percepta
    Qsar Software Acd/Percepta, supplied by ACD Labs Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/qsar+software/pmc08147275-93-9-13?v=ACD+Labs+Inc
    Average 90 stars, based on 1 article reviews
    qsar software acd/percepta - by Bioz Stars, 2026-08
    90/100 stars

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    Flowchart of the present study. QSAR models were derived based on the literature data; the best models were used to design a series of potential new anticancer agents; the compounds were screened in silico for drug likeness and ADME properties; the most prospective ones were synthesized and tested in vitro on BC cell lines.

    Journal: Molecules

    Article Title: Novel Arylsulfonylhydrazones as Breast Anticancer Agents Discovered by Quantitative Structure-Activity Relationships

    doi: 10.3390/molecules28052058

    Figure Lengend Snippet: Flowchart of the present study. QSAR models were derived based on the literature data; the best models were used to design a series of potential new anticancer agents; the compounds were screened in silico for drug likeness and ADME properties; the most prospective ones were synthesized and tested in vitro on BC cell lines.

    Article Snippet: The most relevant descriptors were selected by a genetic algorithm using software tool MDL QSAR v.2.2 (MDL Information Systems Inc., 2004).

    Techniques: Derivative Assay, In Silico, Synthesized, In Vitro

    Training set used in the study for the derivation of QSAR models. Compounds 3a – o are collected from Senkardes et al. [ <xref ref-type= 12 ], and compounds 5a – k —from Gaur et al. [ 13 ]. LE stands for Ligand Efficiency. The anticancer activities of the compounds are measured on human breast adenocarcinoma cell line MCF-7 ( n = 26) and on the TNBC cell line MDA-MB-468 ( n = 11)." width="100%" height="100%">

    Journal: Molecules

    Article Title: Novel Arylsulfonylhydrazones as Breast Anticancer Agents Discovered by Quantitative Structure-Activity Relationships

    doi: 10.3390/molecules28052058

    Figure Lengend Snippet: Training set used in the study for the derivation of QSAR models. Compounds 3a – o are collected from Senkardes et al. [ 12 ], and compounds 5a – k —from Gaur et al. [ 13 ]. LE stands for Ligand Efficiency. The anticancer activities of the compounds are measured on human breast adenocarcinoma cell line MCF-7 ( n = 26) and on the TNBC cell line MDA-MB-468 ( n = 11).

    Article Snippet: The most relevant descriptors were selected by a genetic algorithm using software tool MDL QSAR v.2.2 (MDL Information Systems Inc., 2004).

    Techniques:

    Newly designed arylsulfonylhydrazones. The LE values for MCF-7 and MDA-MB-468 cell lines are predicted by the QSAR models derived in the study. The experimental LE values are obtained in vitro by MTT tests.

    Journal: Molecules

    Article Title: Novel Arylsulfonylhydrazones as Breast Anticancer Agents Discovered by Quantitative Structure-Activity Relationships

    doi: 10.3390/molecules28052058

    Figure Lengend Snippet: Newly designed arylsulfonylhydrazones. The LE values for MCF-7 and MDA-MB-468 cell lines are predicted by the QSAR models derived in the study. The experimental LE values are obtained in vitro by MTT tests.

    Article Snippet: The most relevant descriptors were selected by a genetic algorithm using software tool MDL QSAR v.2.2 (MDL Information Systems Inc., 2004).

    Techniques: Derivative Assay, In Vitro