Ligand-based virtual screening using binary kernel discrimination

This paper discusses the use of a machine-learning technique called binary kernel discrimination (BKD) for virtual screening in drug- and pesticide-discovery programmes. BKD is compared with several other ligand-based tools for virtual screening in databases of 2D structures represented by fragment bit-strings, and is shown to provide an effective, and reasonably efficient, way of prioritising compounds for biological screening

PELATIHAN PENGISIAN BEBAN KERJA DOSEN (BKD) MELALUI SISTER PADA DOSEN FAKULTAS ILMU KOMPUTER UNIVERSITAS AMIKOM PURWOKERTO

ABSTRAKMasih kurangnya pemahaman dosen terkait pengisian BKD melalui SISTER menyebabkan beberapa dosen merasa kesulitan dalam melakukan pengisian BKD, hal ini berdampak pada ketepatan waktu dosen dalam mengirimkan laporan BKD kepada asesor. Keterlambatan tersebut juga mengakibatkan asesor terlambat dalam memeriksa dan memberikan penilaian, yang pada akhirnya dosen menjadi terlambat untuk melaporkan laporan BKD kepada lembaga terkait. Maka dari itu perlu adanya kegiatan pelatihan untuk menyamakan persepsi dosen dalam pengisian BKD, dengan pelatihan ini diharapkan mampu meningkatkan pengetahuan, kemampuan dan ketelitian dosen pada saat mengisi BKD. Kegiatan pelatihan ini bertujuan untuk membantu mempermudah dosen dalam melakukan pengisian BKD melalui SISTER dan juga meningkatkan ketepatan waktu dosen dalam pengumpulan laporan BKD. Metode pelaksanaan kegiatan terdiri dari tahap perencanaan, tahap pelaksanaan dan tahap evaluasi. Kegiatan pelatihan diberikan kepada dosen dengan memberikan pemaparan materi, tes setelah pelatihan dan tanya jawab kepada dosen sebelum kegiatan pelatihan diakhiri. Berdasarkan hasil evaluasi kegiatan menunjukkan bahwa kegiatan pelatihan dapat diikuti dan dipahami dengan baik oleh peserta dan sebanyak 80% peserta setelah mengiktui kegiatan pelatihan dapat menyelesaikan pengisian BKD dan menyimpan permanen laporan BKD. Kata kunci: pelatihan; pengisian; BKD; SISTER; dosen. ABSTRACTThere is still a lack of understanding regarding filling in the BKD through SISTER, causing some lecturers to find it difficult to fill in the BKD, this has an impact on the tighter time for lecturers in sending BKD reports to assessors. This delay also results in an assessor being late in examining and providing an assessment, which ultimately results in the lecturer being late in reporting the BKD report to the relevant institution. Therefore, there is a need for training activities to equalize lecturers' perceptions in filling out the BKD. With this training, it is hoped that it will be able to increase the knowledge, ability and accuracy of lecturers when filling out the BKD. This training activity aims to help make it easier for lecturers to fill in BKD through SISTER and also increase lecturers' timeliness in collecting BKD reports. The activity implementation method consists of the planning stage, implementation stage and evaluation stage. Training activities provided to lecturers include presentation of material, tests after training and questions and answers to lecturers before the training activities end. Based on the results of the activity evaluation, it shows that the training activities can be followed and understood well by the participants and as many as 80% of participants after participating in the training activities can complete filling in the BKD and keep a permanent BKD report. Keywords: training; filling; BKD; SISTER; lecturer

IMPLEMENTASI PROGRAM BUDAYA PEMERINTAHAN SATRIYA DI BADAN KEPEGAWAIAN DAERAH DAERAH ISTIMEWA YOGYAKARTA

Penelitian ini bertujuan untuk mengetahui implementasi program Budaya Pemerintahan SATRIYA di Badan Kepegawaian Daerah Daerah Istimewa Yogyakarta beserta kendalanya. Penelitian ini penting dilakukan untuk melihat penerapan Pergub Nomor 72 Tahun 2008 tentang Budaya Pemerintahan di DIY pada Badan Kepegawaian Daerah Daerah Istimewa Yogyakarta. Desain penelitian ini menggunakan metode penelitian deskriptif kualitatif. Informan penelitian yaituKepala Bagian Humas Biro Humas dan Protokol DIY, Kepala Biro Program Budaya Pemerintahan SATRIYA BKD DIY dan Pegawai BKD DIY sebagai pelaksana program Budaya Pemerintahan SATRIYA BKD DIY. Instrumen penelitian adalah peneliti.Teknik pengumpulan data dilakukan dengan cara wawancara semi terstruktur, observasi, dan dokumentasi. Triangulasi sumber dipilih sebagai teknik uji keabsahan data.Teknik analisis yang digunakan meliputi pengumpulan data, reduksi data, penyajian data, dan penarikan kesimpulan. Berdasarkan hasil penelitian disimpulkan bahwa BKD DIY telah mengimplementasikan program Budaya Pemerintahan SATRIYA di BKD DIY melalui empat tahapan, yaitu: (1) membuat action plan, (2) membuat kelompok kerja, (3) melakukan sosialisasi dan (4) melakukan monitoring. BKD DIY sudah melaksanakan implementasi Budaya Pemerintah SATRIYA tetapi belum maksimal, karena dalam pengimplementasian program Budaya Pemerintahan SATRIYA di BKD DIY terdapat empat hambatan dalam melakukan implementasi program tersebut, yaitu (1) nilai-nilai kearifan lokal yang luhur yang belum dimengerti oleh pegawai secara keseluruhan, (2) koordinasi pimpinan terhadap agen perubahan yang kurang baik dan (3) sosialisasi yang belum maksimal, dan (4) tidak adanya reward and punishment Kata Kunci: Implementasi , Program Budaya Pemerintahan SATRIYA, BKD DI

Refinement and verification of concurrent systems specified in Object-Z and CSP

The formal development of large or complex systems can often be facilitated by the use of more than one formal specification language. Such a combination of languages is particularly suited to the specification of concurrent or distributed systems, where both the modelling of processes and state is necessary. This paper presents an approach to refinement and verification of specifications written using a combination of Object-Z and CSP. A common semantic basis for the two languages enables a unified method of refinement to be used, based upon CSP refinement. To enable state-based techniques to be used for the Object-Z components of a specification we develop state-based refinement relations which are sound and complete with respect to CSP refinement. In addition, a verification method for static and dynamic properties is presented. The method allows us to verify properties of the CSP system specification in terms of its component Object-Z classes by using the laws of the CSP operators together with the logic for Object-Z

Effects of momentum-dependent symmetry potential on heavy-ion collisions induced by neutron-rich nuclei

Using an isospin- and momentum-dependent transport model we study effects of the momentum-dependent symmetry potential on heavy-ion collisions induced by neutron-rich nuclei. It is found that symmetry potentials with and without the momentum-dependence but corresponding to the same density-dependent symmetry energy $E_{sym}(\rho)$ lead to significantly different predictions on several $E_{sym}(\rho)$-sensitive experimental observables especially for energetic nucleons. The momentum- and density-dependence of the symmetry potential have to be determined simultaneously in order to extract the $E_{sym}(\rho)$ accurately. The isospin asymmetry of midrapidity nucleons at high transverse momenta is particularly sensitive to the momentum-dependence of the symmetry potential. It is thus very useful for investigating accurately the equation of state of dense neutron-rich matter.Comment: The version to appear in Nucl. Phys. A. A paragraph and a figure on neutron and proton effective masses in neutron-rich matter are adde

A geometric version of the circle method

We develop a geometric version of the circle method and use it to compute the compactly supported cohomology of the space of rational curves through a point on a smooth affine hypersurface of sufficiently low degree.Comment: 49 pages. Final versio

Evaluation of machine-learning methods for ligand-based virtual screening

Machine-learning methods can be used for virtual screening by analysing the structural characteristics of molecules of known (in)activity, and we here discuss the use of kernel discrimination and naive Bayesian classifier (NBC) methods for this purpose. We report a kernel method that allows the processing of molecules represented by binary, integer and real-valued descriptors, and show that it is little different in screening performance from a previously described kernel that had been developed specifically for the analysis of binary fingerprint representations of molecular structure. We then evaluate the performance of an NBC when the training-set contains only a very few active molecules. In such cases, a simpler approach based on group fusion would appear to provide superior screening performance, especially when structurally heterogeneous datasets are to be processed

Branching Rules for Supercuspidal Representations of SL_2(k)

The restriction of a supercuspidal representation of SL_2(k), for k a local nonarchimedean field, to a maximal compact subgroup decomposes as a multiplicity-free direct sum of irreducible representations. We explicitly describe this decomposition in the case that the residual characteristic is odd, and determine how the spectrum of this decomposition varies as a function of the parameters describing the supercuspidal representation.Comment: 30 pages; minor reorganization to previous version. Accepted to Journal of Algebr