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  1. Amphetamine-type stimulants (ATS) drug classification using shallow one-dimensional convolutional neural network
    Mohd Yusof N, Muda AK, Pratama SF, Carbo-Dorca R
    Mol Divers, 2021 Aug 02.
    PMID: 34338915 DOI: 10.1007/s11030-021-10289-1
    Amphetamine-type stimulants (ATS) drug analysis and identification are challenging and critical nowadays with the emergence production of new synthetic ATS drugs with sophisticated design compounds. In the present study, we proposed a one-dimensional convolutional neural network (1DCNN) model to perform ATS drug classification as an alternative method. We investigate as well as explore the classification behavior of 1DCNN with the utilization of the existing novel 3D molecular descriptors as ATS drugs representation to become the model input. The proposed 1DCNN model is composed of one convolutional layer to reduce the model complexity. Besides, pooling operation that is a standard part of traditional CNN is not applied in this architecture to have more features in the classification phase. The dropout regularization technique is employed to improve model generalization. Experiments were conducted to find the optimal values for three dominant hyper-parameters of the 1DCNN model which are the filter size, transfer function, and batch size. Our findings found that kernel size 11, exponential linear unit (ELU) transfer function and batch size 32 are optimal for the 1DCNN model. A comparison with several machine learning classifiers has shown that our proposed 1DCNN has achieved comparable performance with the Random Forest classifier and competitive performance with the others.
  2. A novel nonlinear time-varying sigmoid transfer function in binary whale optimization algorithm for descriptors selection in drug classification
    Mohd Yusof N, Muda AK, Pratama SF, Abraham A
    Mol Divers, 2023 Feb;27(1):71-80.
    PMID: 35254585 DOI: 10.1007/s11030-022-10410-y
    In computational chemistry, the high-dimensional molecular descriptors contribute to the curse of dimensionality issue. Binary whale optimization algorithm (BWOA) is a recently proposed metaheuristic optimization algorithm that has been efficiently applied in feature selection. The main contribution of this paper is a new version of the nonlinear time-varying Sigmoid transfer function to improve the exploitation and exploration activities in the standard whale optimization algorithm (WOA). A new BWOA algorithm, namely BWOA-3, is introduced to solve the descriptors selection problem, which becomes the second contribution. To validate BWOA-3 performance, a high-dimensional drug dataset is employed. The proficiency of the proposed BWOA-3 and the comparative optimization algorithms are measured based on convergence speed, the length of the selected feature subset, and classification performance (accuracy, specificity, sensitivity, and f-measure). In addition, statistical significance tests are also conducted using the Friedman test and Wilcoxon signed-rank test. The comparative optimization algorithms include two BWOA variants, binary bat algorithm (BBA), binary gray wolf algorithm (BGWOA), and binary manta-ray foraging algorithm (BMRFO). As the final contribution, from all experiments, this study has successfully revealed the superiority of BWOA-3 in solving the descriptors selection problem and improving the Amphetamine-type Stimulants (ATS) drug classification performance.
  3. The relationship between infection severity, wound categorization, and foot care in type 2 diabetes mellitus patients with recurring diabetic foot ulcers
    Haryanto, Amrullah S, Pratama SF, Agustini F, Pasmawati, Khairillah YN, et al.
    Med J Malaysia, 2024 Jan;79(1):60-67.
    PMID: 38287759
    INTRODUCTION: Research on diabetic foot ulcers (DFU) infection is limited to the first wound. Therefore, this study aimed to evaluate the relationship between wound classification (Wagner and SHID), and foot care against severity infection of DFU recurrent that may contribute to an increased susceptibility to infection among individuals with recurrent DFUs.

    MATERIALS AND METHODS: A cross-sectional design was used in this study involving 245 participants of type 2 diabetes mellitus (T2DM) was conducted at a Kitamura Wound Care Clinic, PKU Muhammadiyah, located in Pontianak, West Kalimantan, Indonesia, between September 2022 and February 2023. The Kruskal-Wallis test was used to assess the relationship between the foot care practices and infection status. A linear regression test to examine the independent risk factors.

    RESULTS: Wounds' characteristics regarding foot care practice group were significantly including more than 5 months wound heal from previous wounds (p = 0.045), the percentage of wound site on dorsal was higher in the foot care practice group (p < 0.001), the percentage had no deformity feet was higher in the foot care practice group (p < 0.001), the percentage had no previous amputation feet was higher in the foot care practice group (p < 0.001). Also, the percentage had grade three was higher in the foot care practice group (p < 0.001), the percentage had grade three was higher in the foot care practice group (p < 0.001), and the percentage had mild infection status was higher in the foot care practice group (p < 0.001). The predictors of diabetic foot infection were Wagner and SHID classification and foot care (p < 0.001, p < 0.001, and p < 0.01) respectively.

    CONCLUSION: This study demonstrated that foot-care behaviour in diabetic patients in Indonesia is poor. In addition, this study also has shown Wagner grading, SHID grading, and foot-care are predictors of infection in recurrent DFUs.

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